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Molekula Limited

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Web: http://www.molekula.com
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Address: Lingfield Way, Darlington, Durham DL1 4XX, United Kingdom
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Profile: Molekula Limited specializes in offering research chemicals and biochemicals. Our active pharmaceutical ingredients include acetyllovastatin, acetylsimvastatin, acyclovir and albendazole. Our fluorinated products are aluminum fluoride trihydrate, 4-aminobenzotrifluoride, 3-amino-5-bromobenzotrifluoride and aluminum trifluoromethanesulfonate. Our piperazines include N-carbethoxy piperazine, 1-cyclohexylpiperazine, 1-boc-piperazine and 1-benzylpiperazine.

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• (1R,2R,3S,5R)-(-)-2,3-Pinanediol
IUPAC Name: (1R,3S,4R,5R)-4,6,6-trimethylbicyclo[3.1.1]heptane-3,4-diol | CAS Registry Number: 22422-34-0
Synonyms: (1R,2R,3S,5R)-(-)-Pinanediol, (-)-2,3-Pinanediol, (-)-cis-Pinane-cis-2,3-diol, (-)-2-Hydroxyisopinocampheol, (1R,2R,3S,5R)-2,3-Pinanediol, [1R-(1|A,2|A,3|A,5|A)]-2,6,6-Trimethylbicyclo[3.1.1]heptane-2,3-diol, Pinanediol [INCI], cis-|A-Pinene Glycol, cis-alpha-Pinene glycol, AC1O6JRF, alpha-Pinene glycol, cis-, SureCN8609394, KSC497C1T, UNII-R58L0W3A75, (1R,2R,3S,5R)-2,6,6-trimethylbicyclo[3.1.1]heptane-2,3-diol, CTK3J7119, MolPort-005-943-175, (1R,2R,3S)-pinane-2,3-diol, ACN-S003509, ANW-24865

Molecular Formula: C10H18O2Molecular Weight: 170.248720 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 2

InChIKey: MOILFCKRQFQVFS-BDNRQGISSA-N

• (S)-(-)-3,3,3-Trifluoro-1,2-epoxypropane
IUPAC Name: (2S)-2-(trifluoromethyl)oxirane | CAS Registry Number: 130025-34-2
Synonyms: (2S)-2-(trifluoromethyl)oxirane, (S)-(-)-2-Trifluoromethyloxirane, (S)-3,3,3-Trifluoro-1,2-Epoxypropane, trifluoromethyloxirane, zlchem 1266, AC1OGOYC, (S)-2-Trifluoromethyl-oxirane, 665797_ALDRICH, CTK4B6482, ZLE0041, MolPort-000-006-556, PC3905, ZINC04290171, AKOS015991426, AKOS016016392, AG-D-60871, RP09616, Oxirane,2-(trifluoromethyl)-, (2S)-, BP-12580, KB-05223

Molecular Formula: C3H3F3OMolecular Weight: 112.050530 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 4

InChIKey: AQZRARFZZMGLHL-REOHCLBHSA-N

• (-)-B-Chlorodiisopinocamphenylborane
IUPAC Name: chloro-[(3R,4S,5R)-4,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl]-[(3S,4S,5R)-4,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl]borane | CAS Registry Number: 85116-37-6
Synonyms: (-)-B-Chlorodiisopinocampheylborane, RP18118

Molecular Formula: C20H34BClMolecular Weight: 320.747960 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 0

InChIKey: PSEHHVRCDVOTID-GZGCRDQTSA-N

• (R)-2-(Butanol)
IUPAC Name: (2R)-butan-2-ol | CAS Registry Number: 14898-79-4
Synonyms: (R)-2-Butanol, ISOBUTYL ALCOHOL, (R)-Butan-2-ol, (-)-2-Butanol, (2R)-butan-2-ol, (R)-(-)-2-Butanol, (R)-(-)-sec-butyl alcohol, 236691_ALDRICH, CHEBI:35686, CID84682, EINECS 238-967-8, ZINC01622055, (R)-(−)-2-Butanol, (R)-(−)-sec-Butyl alcohol, 78-92-2

Molecular Formula: C4H10OMolecular Weight: 74.121600 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: BTANRVKWQNVYAZ-SCSAIBSYSA-N

• (S)-(-)-tert-Butanesulfinamide
IUPAC Name: 2-methylpropane-2-sulfinamide | CAS Registry Number: 146374-27-8
Synonyms: 2-methylpropane-2-sulfinamide, 2-Methyl-2-propanesulfinamide, t-Butylsulfinamide, tert-Butylsulfinamide, tert-butanesulfinamide, 2-Methyl-propane-2-sulfinic acid amide, TERT-BUTYL SULFINAMIDE, (+/-)-tert-Butyl sulfinamide, 2-Propanesulfinamide, 2-methyl, AG-D-90695, (S)-tert-butanesulfinamide, (r)-2-methylpropane-2-sulfinamide, tert-butylsulphinamide, PubChem9911, ACMC-1CSOX, ACMC-209f0n, ACMC-209i6s, AC1MPB85, KSC497C7H, AGN-PC-007FY8

Molecular Formula: C4H11NOSMolecular Weight: 121.201240 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: CESUXLKAADQNTB-UHFFFAOYSA-N

• (1S,2S)-(+)-N-(4-Toluenesulfonyl)-1,2-diphenylethylenediamine
IUPAC Name: [(1S,2S)-2-[(4-methylphenyl)sulfonylamino]-1,2-di(phenyl)ethyl]azanium | CAS Registry Number: 167316-27-0
Synonyms: ZINC04204432, CID7128481

Molecular Formula: C21H23N2O2S+Molecular Weight: 367.484520 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: UOPFIWYXBIHPIP-SFTDATJTSA-O

• (R)-(+)-2,2'-Dimethoxy-1,1'-binaphthalene
IUPAC Name: 2-methoxy-1-(2-methoxynaphthalen-1-yl)naphthalene | CAS Registry Number: 35294-28-1
Synonyms: 2,2'-Dimethoxy-1,1'-binaphthalene, 2960-93-2, 75640-87-8, (S)-(-)-2,2'-Dimethoxy-1,1'-binaphthalene, (R)-(+)-2,2'-DIMETHOXY-1,1'-BINAPHTHYL, F0349-1138, 2-methoxy-1-(2-methoxynaphthalen-1-yl)naphthalene, NSC37210, PubChem12698, AC1Q4DTU, ChemDiv3_000099, SureCN998182, AC1L5US5, UPCMLD00WMAL2-133, 595292_ALDRICH, 595519_ALDRICH, MolPort-003-013-115, HMS1473E11, 2,2'-Dimethoxy-1,1'-binaphthyl, NSC-37210

Molecular Formula: C22H18O2Molecular Weight: 314.377120 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: BJAADAKPADTRCH-UHFFFAOYSA-N

• (S)-(-)-2,2'-Dimethoxy-1,1'-binaphthyl
IUPAC Name: 2-methoxy-1-(2-methoxynaphthalen-1-yl)naphthalene | CAS Registry Number: 75640-87-8
Synonyms: 2,2'-Dimethoxy-1,1'-binaphthalene, 2960-93-2, 35294-28-1, (S)-(-)-2,2'-Dimethoxy-1,1'-binaphthalene, (R)-(+)-2,2'-DIMETHOXY-1,1'-BINAPHTHYL, F0349-1138, 2-methoxy-1-(2-methoxynaphthalen-1-yl)naphthalene, NSC37210, PubChem12698, AC1Q4DTU, ChemDiv3_000099, SureCN998182, AC1L5US5, UPCMLD00WMAL2-133, 595292_ALDRICH, 595519_ALDRICH, MolPort-003-013-115, HMS1473E11, 2,2'-Dimethoxy-1,1'-binaphthyl, NSC-37210

Molecular Formula: C22H18O2Molecular Weight: 314.377120 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: BJAADAKPADTRCH-UHFFFAOYSA-N

• (1-Methyl-Piperidin-4-Yl)-Acetaldehyde
IUPAC Name: 2-(1-methylpiperidin-4-yl)acetaldehyde | CAS Registry Number: 10333-64-9
Synonyms: (1-METHYLPIPERIDIN-4-YL)ACETALDEHYDE, 2-(1-methylpiperidin-4-yl)acetaldehyde, SBB052338, AG-D-14015, N-Methyl-4-piperidine acetaldehyde, PubChem10347, CTK4A2008, MolPort-009-196-819, 2-(1-methyl-4-piperidyl)ethanal, 1-Methyl-4-piperidine acetaldehyde, 1-Methyl-4-(2-oxoethyl)piperidine, ANW-52821, AKOS006230706, RP20691, 2-(1-methyl-4-piperidinyl)acetaldehyde, AK-25268, KB-00367, KB-162177, AM20070685, A15078

Molecular Formula: C8H15NOMolecular Weight: 141.210800 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: RLBGFQHGJXQUKY-UHFFFAOYSA-N

• (r)-1,4-Benzodioxane-2-Carboxylic Acid
IUPAC Name: (3R)-2,3-dihydro-1,4-benzodioxine-3-carboxylic acid | CAS Registry Number: 70918-53-5
Synonyms: (R)-1,4-Benzodioxane-2-carboxylic acid, (R)-2,3-Dihydro-benzo[1,4]dioxine-2-carboxylic acid, (R)-1,4-Benzodioxan-2-CarboxylicAcid, (R)-1,4-Benzodioxan-2-carboxylic acid, (R)-2,3-Dihydro-1,4-benzodioxin-2-carboxylic acid, (2r)-2,3-Dihydro-1,4-Benzodioxine-2-Carboxylic Acid, 15N, PubChem11674, AC1LEJ6H, SureCN566636, 12348_ALDRICH, 12348_FLUKA, CTK2H7205, MolPort-002-070-239, ACT05055, ANW-48051, AG-G-77350, AK-44069, BR-44069, KB-02706

Molecular Formula: C9H8O4Molecular Weight: 180.157420 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: HMBHAQMOBKLWRX-MRVPVSSYSA-N

• (s)-1,4-Benzodioxane-2-Carboxylic Acid
IUPAC Name: (3S)-2,3-dihydro-1,4-benzodioxine-3-carboxylic acid | CAS Registry Number: 70918-54-6
Synonyms: (S)-1,4-Benzodioxane-2-carboxylic acid, (S)-2,3-Dihydro-benzo[1,4]dioxine-2-carboxylic acid, AG-G-77351, (S)-1,4-Benzodioxan-2-CarboxylicAcid, (S)-1,4-Benzodioxan-2-carboxylic acid, (S)-2,3-Dihydro-1,4-benzodioxin-2-carboxylic acid, (2S)-2,3-Dihydro-1,4-Benzodioxine-2-Carboxylic Acid, 0JD, PubChem6385, PubChem11672, AC1LEJ6E, AC1Q71BP, SureCN1300333, 12351_ALDRICH, 12351_FLUKA, CTK2H7206, MolPort-001-794-383, ANW-59187, AKOS015855844, AKOS015899815

Molecular Formula: C9H8O4Molecular Weight: 180.157420 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: HMBHAQMOBKLWRX-QMMMGPOBSA-N

• (+/-)-Alpha-Methoxy-Alpha-Trifluoromethylphenylacetic Acid
IUPAC Name: 3,3,3-trifluoro-2-methoxy-2-phenylpropanoic acid | CAS Registry Number: 81655-41-6
Synonyms: MTPA, Mosher's acid, 3,3,3-Trifluoro-2-methoxy-2-phenylpropanoic acid, SBB000723, alpha-Methoxy-alpha-(trifluoromethyl)phenylacetic acid, (+/-)-1-methoxy-1-(trifluoromethyl)phenylacetic acid, [+]-MTPA, (+/-)-alpha-Methoxy-alpha-trifluoromethylphenylacetic acid, (+/-)-alpha-methoxy-alpha-(trifluoromethyl)phenylacetic acid, (+)-Mtpa, Benzeneacetic acid, alpha-methoxy-alpha-(trifluoromethyl)-, ACMC-20apjt, ACMC-20a3nm, Mosher's reagent [MI], AC1L3BQZ, (+/-)-Mosher's acid, SureCN236357, UNII-E015GCC0MA, (R)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoic acid, AC1Q44EE

Molecular Formula: C10H9F3O3Molecular Weight: 234.171870 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 6

InChIKey: JJYKJUXBWFATTE-UHFFFAOYSA-N

• (2r,4r)-(-)-Pentanediol
IUPAC Name: pentane-2,4-diol | CAS Registry Number: 42075-32-1
Synonyms: 2,4-PENTANEDIOL, Isoamylene alcohol, 2,4-Amylene glycol, Pentanediol-2,4, Pentane-2,4-diol, 2,4-Amyleneglycol, dl-2,4-Pentanediol, (2R,4R)-(-)-Pentanediol, WLN: QY&1YQ, MLS001055336, (2S,4S)-(+)-Pentanediol, 156019_ALDRICH, (R*,R*)-Pentane-2,4-diol, (R*,S*)-Pentane-2,4-diol, EINECS 210-907-5, NSC 13528, NSC 53505, CID12262, NSC13528, NSC53505

Molecular Formula: C5H12O2Molecular Weight: 104.147580 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 2

InChIKey: GTCCGKPBSJZVRZ-UHFFFAOYSA-N

• (4-Fluorophenylthio)Acetone
IUPAC Name: 1-(4-fluorophenyl)sulfanylpropan-2-one | CAS Registry Number: 2968-13-0
Synonyms: ZINC00157348, CID2737496, BBV-27093764

Molecular Formula: C9H9FOSMolecular Weight: 184.230563 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: MKJQBSVPZYELIJ-UHFFFAOYSA-N

• (S)-(-)-3-Butyn-2-Ol
IUPAC Name: (2S)-but-3-yn-2-ol | CAS Registry Number: 2914-69-4
Synonyms: 1-Methylpropargyl alcohol, 464007_ALDRICH, (S)-(-)-3-Butyn-2-ol, ZINC01756137, CID6995470

Molecular Formula: C4H6OMolecular Weight: 70.089840 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: GKPOMITUDGXOSB-BYPYZUCNSA-N

• (S)-3-Hydroxybutanoic acid
IUPAC Name: (3S)-3-hydroxybutanoic acid | CAS Registry Number: 6168-83-8
Synonyms: (S)-3-Hydroxybutyric acid, 3-hydroxybutyric acid, beta-Hydroxybutyrate,l, (S)-3-Hydroxybutanoate, beta-Hydroxybutyrate, L-, MLS001333229, MLS001333230, (3S)-3-hydroxybutanoic acid, 54925_ALDRICH, 54925_FLUKA, CHEBI:17290, CID94318, EINECS 228-209-4, SMR000857204, C03197, 3HL

Molecular Formula: C4H8O3Molecular Weight: 104.104520 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: WHBMMWSBFZVSSR-VKHMYHEASA-N

• 2-[(4-Chlorophenyl)Sulfonyl]-2-Hydroxyiminoacetonitrile
IUPAC Name: (2Z)-2-(4-chlorophenyl)sulfonyl-2-hydroxyiminoacetonitrile | CAS Registry Number: 74755-02-5
Synonyms: AG-G-97498, AC1NWNUY, 2-(4-chlorophenyl)sulfonyl-2-hydroxyiminoacetonitrile, MolPort-001-764-059, OR25097, (2Z)-2-(4-chlorophenyl)sulfonyl-2-hydroxyiminoacetonitrile

Molecular Formula: C8H5ClN2O3SMolecular Weight: 244.654900 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 5

InChIKey: HJVLCJDWUSCNDF-FLIBITNWSA-N

• 2-Nitro-4-(Trifluoromethyl)Phenylthioglycolic Acid
IUPAC Name: 2-[2-nitro-4-(trifluoromethyl)phenyl]sulfanylacetic acid | CAS Registry Number: 728-56-3
Synonyms: 2-nitro-4-(trifluoromethyl)phenylthioglycollic acid, F0239-0671, 2-{[2-nitro-4-(trifluoromethyl)phenyl]thio}acetic acid, 2-((2-nitro-4-(trifluoromethyl)phenyl)thio)acetic acid, CBDivE_003602, AC1LF8YO, AC1Q4JQC, Maybridge1_004833, CTK7J5651, HMS555D15, MolPort-000-157-836, AR-1D7443, STL306671, AKOS001061706, AG-B-76173, MCULE-6725315299, KB-105614, KB-123831, FT-0613165, ST50052204

Molecular Formula: C9H6F3NO4SMolecular Weight: 281.208450 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 8

InChIKey: UKWVKDJZWQVZEH-UHFFFAOYSA-N

• -(Methylamino)-1-Phenyl-1-Propanone Hydrochloride
IUPAC Name: 3-(methylamino)-1-phenylpropan-1-one chloride | CAS Registry Number: 2538-50-3
Synonyms: NSC9981

Molecular Formula: C10H13ClNO-Molecular Weight: 198.669320 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: VIHLSOFMDHEDRK-UHFFFAOYSA-M

• 2-Amino-3-Methyl-1,1-Diphenylbutan-1-Ol
IUPAC Name: 2-amino-3-methyl-1,1-diphenylbutan-1-ol | CAS Registry Number: 86695-06-9
Synonyms: 2-amino-3-methyl-1,1-diphenylbutan-1-ol, Maybridge3_005561, PubChem18164, ACMC-20a14g, AC1MX10O, SureCN1131651, CTK8G7814, MolPort-000-145-724, HMS1446M17, RJC00278, SBB101616, IDI1_016948, KB-167042

Molecular Formula: C17H21NOMolecular Weight: 255.354740 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 2

InChIKey: LNQVZZGGOZBOQS-UHFFFAOYSA-N

• (2S,4S)-(+)-Pentanediol
IUPAC Name: (2S,4S)-pentane-2,4-diol | CAS Registry Number: 72345-23-4
Synonyms: (S,S)-(+)-2,4-Pentanediol, (2S,4S)-(+)-2,4-Pentanediol, (2S,4S)-pentane-2,4-diol, AG-G-84717, (2S,4S)-(+)-2,4-Dihydroxypentane, PubChem6728, (2S,4s)-pentanediol, AC1OCT3N, )]-(+)-2,4-Pentanediol, 267872_ALDRICH, CTK3J6833, [S-(S, ANW-36193, ZINC00388355, AKOS015840302, AKOS015911391, KB-01355, [S-(S*,S*)]-(+)-2,4-Pentanediol, FT-0610236, FT-0655242

Molecular Formula: C5H12O2Molecular Weight: 104.147580 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 2

InChIKey: GTCCGKPBSJZVRZ-WHFBIAKZSA-N

• (R)-(+)-2-Amino-1,1,3-Triphenyl-1-Propanol
IUPAC Name: (2R)-2-amino-1,1,3-triphenylpropan-1-ol | CAS Registry Number: 86906-05-0
Synonyms: (R)-2-Amino-1,1,3-triphenylpropan-1-ol, (R)-(+)-2-Amino-1,1,3-triphenyl-1-propanol, AC1ODTBS, SureCN1131200, 554472_ALDRICH, CTK5F7370, MolPort-003-936-623, ANW-57448, AKOS015913543, AK-87044, KB-209792, (2R)-2-amino-1,1,3-triphenylpropan-1-ol, Benzenepropanol, b-amino-a,a-diphenyl-, (bR)-, I14-45793

Molecular Formula: C21H21NOMolecular Weight: 303.397540 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 2

InChIKey: KBXBDYRXZGBOIH-HXUWFJFHSA-N

• 3-Methylamino-1-(2-thienyl)-1-propanol
IUPAC Name: (1S)-3-(methylamino)-1-thiophen-2-ylpropan-1-ol | CAS Registry Number: 116539-55-0
Synonyms: (S)-(-)-3-(N-methylamino)-1-(2-thienyl)-1-propanol, AG-D-38031, SureCN98019, (S)-3-(Methylamino)-1-(thiophen-2-yl)propan-1-ol, 3-Methylamino-1-thiophen-2-yl-propan-1-ol 1HCl salt, UNII-43P2XE546O, CTK4A9846, MolPort-003-886-041, ACN-S003511, ACT07226, ANW-52363, AKOS006284313, AC-5321, AK-46639, BR-46639, KB-05201, FT-0694133, M2157, (S)-3-(Methylamino)-1-(2-thienyl)-1-propanol, (S)-3-(Methylamino)-1-(2-thienyl)propan-1-ol

Molecular Formula: C8H13NOSMolecular Weight: 171.259920 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: YEJVVFOJMOHFRL-ZETCQYMHSA-N

• (3-Aminopropyl)ethyldiethoxysilane
IUPAC Name: 3-aminopropyl(2,2-diethoxyethyl)silicon | CAS Registry Number: 20723-29-9
Synonyms: (3-Aminopropyl)diethoxyethylsilane, BRN 2235778, Propylamine, 3-(diethoxyethylsilyl)-, Silane, (3-aminopropyl)diethoxyethyl-, CID6338193, LS-125604

Molecular Formula: C9H21NO2SiMolecular Weight: 203.354040 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: ODWXFQRBQXFRMN-UHFFFAOYSA-N

• 3-Mercaptopropyltrimethoxy Silane
IUPAC Name: 3-trimethoxysilylpropane-1-thiol | CAS Registry Number: 4420-74-0
Synonyms: Silquest A 189, Prosil 196, Silane A 189, A 189 (silicone), Union carbide A-189, Sila-Ace S 810, MPS-M, M 8500 (coupling agent), (3-Thiopropyl)trimethoxysilane, 3-Mercaptopropyltrimethoxysilane, NUCA 189, TSL8380E, (3-Mercaptopropyl)trimethoxysilane, 3-(Trimethoxysilyl)propanethiol, 1-Propanethiol, 3-(trimethoxysilyl)-, 3-Trimethoxysilylpropane-1-thiol, M1521_SIGMA, KBE 803, KBM 803, 3-(Sulfanylpropyl)trimethoxysilane

Molecular Formula: C6H16O3SSiMolecular Weight: 196.339940 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: UUEWCQRISZBELL-UHFFFAOYSA-N

• (S)-(-)-3-Pyrrolidinol
IUPAC Name: (3S)-pyrrolidin-1-ium-3-ol | CAS Registry Number: 100243-39-8
Synonyms: ZINC01574930, ZINC02140994, CID7003742

Molecular Formula: C4H10NO+Molecular Weight: 88.128300 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 1

InChIKey: JHHZLHWJQPUNKB-BYPYZUCNSA-O

• (1S)-(-)-Camphanic acid
IUPAC Name: 1,7,7-trimethyl-2-oxo-3-oxabicyclo[2.2.1]heptane-4-carboxylic acid | CAS Registry Number: 13429-83-9
Synonyms: (-)-Camphanic acid, Oprea1_006313, Oprea1_101638, MEGxp0_001716, ACon1_002119, EINECS 236-552-6, CID114518, NCGC00179813-01, ST5072303, TL8000805, 4,7,7-Trimethyl(2-oxabicyclo(2.2.1)hept-1-yl)carboxylic acid, 4,7,7-Trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carboxylic acid

Molecular Formula: C10H14O4Molecular Weight: 198.215760 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: KPWKPGFLZGMMFX-UHFFFAOYSA-N

• (R)-(+)-4-Hydroxy-2-Pyrrolidinone
IUPAC Name: (4R)-4-hydroxypyrrolidin-2-one | CAS Registry Number: 22677-21-0
Synonyms: 479160_ALDRICH, (R)-beta-Hydroxy-gamma-butyrolactam, (R)-()-4-Hydroxy-2-pyrrolidinone, (R)-(+)-4-Hydroxy-2-pyrrolidinone, TL8001902

Molecular Formula: C4H7NO2Molecular Weight: 101.103880 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 2

InChIKey: IOGISYQVOGVIEU-GSVOUGTGSA-N

• (-)-Epigallocatechin Gallate
IUPAC Name: [(2R,3R)-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromen-3-yl] 3,4,5-trihydroxybenzoate | CAS Registry Number: 989-51-5
Synonyms: EGCG, Tea catechin, Epigallocatechin gallate, Teavigo, Epigallocatechin 3-gallate, Catechin deriv., EGCG cpd, (-)-Epigallocatechin gallate, Green tea extract, Epigallocatechin-3-gallate, Ambap721, epigallo-catechin gallate, Spectrum_000316, SpecPlus_000277, Spectrum2_000168, Spectrum3_000244, Spectrum4_001541, Spectrum5_000102, Galloyl-L-epigallocatechol, (-)-Epigallocatechol gallate

Molecular Formula: C22H18O11Molecular Weight: 458.371720 [g/mol]
H-Bond Donor: 8H-Bond Acceptor: 11

InChIKey: WMBWREPUVVBILR-WIYYLYMNSA-N

• (R)-(-)-sec-Butylamine
IUPAC Name: butan-2-amine | CAS Registry Number: 13250-12-9
Synonyms: 2-Butanamine, Deccotane, Butafume, Frucote, Tutane, SEC-BUTYLAMINE, 2-Aminobutane, 2-Butylamine, 1-Methylpropanamine, 1-Methylpropylamine, 2-Aminobutane base, butan-2-amine, S-2-Butylamine, Butylamine [ISO], sec-Butylamine, (S)-, (S)-sec-Butylamine, (S)-2-Aminobutane, (+)-2-Butylamine, (RS)-sec-Butylamine, Caswell No. 125

Molecular Formula: C4H11NMolecular Weight: 73.136840 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: BHRZNVHARXXAHW-UHFFFAOYSA-N

• (-)-borneol
IUPAC Name: (1S,4S,6R)-1,7,7-trimethylbicyclo[2.2.1]heptan-6-ol | CAS Registry Number: 464-45-9
Synonyms: L-Borneol, (-)-Borneol, Ambap7260, (−)-Borneol, [(1s)-endo]-(-)-borneol, 139114_ALDRICH, 15598_FLUKA, CHEBI:15394, (1S,2R,4S)-(-)-Borneol, ZINC00967533, [(1S)-endo]-(−)-Borneol, (1S,2R,4S)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol, (1S-endo)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol, endo-(1S)-1,7,7-Trimethylbicyclo[2.2.1]heptan-2-ol, 507-70-0

Molecular Formula: C10H18OMolecular Weight: 154.249320 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: DTGKSKDOIYIVQL-QXFUBDJGSA-N

• (S)-3-N-Acetylamino Pyrrolidine
IUPAC Name: N-[(3S)-pyrrolidin-3-yl]acetamide | CAS Registry Number: 114636-31-6
Synonyms: (3S)-(-)-3-Acetamidopyrrolidine, (S)-3-Acetamidopyrrolidine, (S)-3-ACETAMIDO-PYRROLIDINE, N-[(3S)-pyrrolidin-3-yl]acetamide, (S)-3-Acetaminopyrrolidine, (+)-N-[(3R)-Pyrrolidin-3-yl]acetamide, AC1ODVEV, SureCN39850, CTK3J6651, MolPort-001-768-436, ANW-16701, OR4609, AKOS015837752, AC-6726, AG-D-35018, AK-47741, BR-47741, KB-63520, FT-0604728, X9087

Molecular Formula: C6H12N2OMolecular Weight: 128.172280 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 2

InChIKey: HDCCJUCOIKLZNM-LURJTMIESA-N

• (2-Bromo-Pyridin-3-Yl)-Carbamic Acid Tert-Butyl Ester
IUPAC Name: tert-butyl N-(2-bromopyridin-3-yl)carbamate | CAS Registry Number: 116026-98-3
Synonyms: ZINC04352714, S02-0148

Molecular Formula: C10H13BrN2O2Molecular Weight: 273.126420 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: QYWNZOFKKFIZAL-UHFFFAOYSA-N

• (-)-3-Dehydroshikimic Acid
IUPAC Name: (4S,5R)-4,5-dihydroxy-3-oxocyclohexene-1-carboxylate | CAS Registry Number: 2922-42-1
Synonyms: 5-dehydroshikimate, 3-dehydro-shikimate, 3-dehydroshikimic acid, 5-dehydroshikimic acid, CHEBI:16630, ZINC05157163, CID5460360, (4S,5R)-4,5-dihydroxy-3-oxocyclohex-1-ene-1-carboxylate, 10457-99-5

Molecular Formula: C7H7O5-Molecular Weight: 171.127480 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 5

InChIKey: SLWWJZMPHJJOPH-PHDIDXHHSA-M

• (S)-2-Aminohexane
IUPAC Name: (2S)-hexan-2-amine | CAS Registry Number: 70492-67-0
Synonyms: (S)-2-Hexylamine, (2S)-hexan-2-amine, AG-G-75234, PubChem6750, (2S)-2-hexanamine, AC1OE5PM, 2-Hexanamine, (2S)-, 77914_ALDRICH, 77914_FLUKA, CTK2H7013, (S)-(+)-2-AMINOHEXANE, AKOS006349673, AKOS015840327, KB-04141, A836901, I14-4177, 2-Hexanamine,(S)-; (+)-2-Aminohexane; (S)-2-Aminohexane; (S)-2-Hexanamine

Molecular Formula: C6H15NMolecular Weight: 101.190000 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: WGBBUURBHXLGFM-LURJTMIESA-N

• 4,6,6-Trimethylbicyclo[3.1.1]Hept-3-En-2-One
IUPAC Name: (1R,5R)-2,7,7-trimethylbicyclo[3.1.1]hept-2-en-4-one | CAS Registry Number: 80-57-9
Synonyms: VERBENONE, CID65724, EINECS 201-292-4, ZINC00967600, EPA Pesticide Chemical Code 128986, NCGC00142604-01, AI3-23127, 4,6,6-Trimethylbicyclo(3.1.1)hept-3-en-2-one, Bicyclo(3.1.1)hept-3-en-2-one, 4,6,6-trimethyl-, 1196-01-6

Molecular Formula: C10H14OMolecular Weight: 150.217560 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: DCSCXTJOXBUFGB-SFYZADRCSA-N

• 1,1,4,4-Tetraphenyl-2,3-Oisopropylidene-D-threitol
IUPAC Name: [(4S,5S)-5-[hydroxy(diphenyl)methyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-diphenylmethanol | CAS Registry Number: 93379-49-8
Synonyms: (+)-Taddol, (+)-2,3-O-Isopropylidene-1,1,4,4-tetraphenyl-D-threitol, (4S,5S)-4,5-Bis(diphenylhydroxymethyl)-2,2-dimethyldioxolane, ((4S,5S)-2,2-Dimethyl-1,3-dioxolane-4,5-diyl)bis(diphenylmethanol), (+)-trans-Alpha,alpha'-(2,2-dimethyl-1,3-dioxolane-4,5-diyl)bis(diphenylmethanol), (4S,5S)-2,2-Dimethyl-alpha,alpha,alpha',alpha'-tetraphenyldioxolane-4,5-dimethanol, (4S,5S)-2,2-Dimethyl-|A,|A,|A inverted exclamation marka,|A inverted exclamation marka-tetraphenyldioxolane-4,5-dimethanol, (+)-4,5-Bis[hydroxy(diphenyl)methyl]-2,2-dimethyl-1,3-dioxolane, (4S,5S)-2,2-Dimethyl-lla pound inverted question marka pound inverted question marketraphenyldioxolane-4,5-dimethanol, PubChem6769, SureCN4383952, 264997_ALDRICH, 59534_FLUKA, MolPort-003-928-839, ANW-57720, ZINC06569118, AM62783, SC11819, AK-54573, AB1011168

Molecular Formula: C31H30O4Molecular Weight: 466.567500 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 4

InChIKey: OWVIRVJQDVCGQX-NSOVKSMOSA-N

• (R,R)-1,2-Diaminocyclohexane
IUPAC Name: (1R,2R)-cyclohexane-1,2-diamine | CAS Registry Number: 20439-47-8
Synonyms: (1R,2R)-(-)-1,2-Diaminocyclohexane, (1R,2R)-cyclohexane-1,2-diamine, trans-1,2-Diaminocyclohexane, 1121-22-8, r-dach, (1r,2r)-1,2-diaminocyclohexane, (1R)-trans-1,2-Cyclohexanediamine, (1r,2r)-diaminocyclohexane, rr-diaminocyclohexane, (1R,2R)-(-)-1,2-Cyclohexanediamine, trans-1,2-Cyclohexanediamine, (1R)-(-)-trans-1,2-Diaminocyclohexane, trans-cyclohexane-1,2-diamine, 1R,2R-DIAMINOCYCLOHEXANE, (1R,2R)-1,2-Cyclohexanediamine, ((1R,2R)-2-Aminocyclohexyl)amine, SBB007639, (+/-)-trans-1,2-Diaminocyclohexane, (R,R)-(-)-1,2-Diaminocyclohexane, DNH

Molecular Formula: C6H14N2Molecular Weight: 114.188760 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 2

InChIKey: SSJXIUAHEKJCMH-PHDIDXHHSA-N

• (1R)-(-)-Camphorquinone
IUPAC Name: (1R,4S)-1,7,7-trimethylbicyclo[2.2.1]heptane-2,3-dione | CAS Registry Number: 10334-26-6
Synonyms: Camphorquinone, ()-Camphorquinone, 2,3-Bornanedione, Ambap5942, DL-CAMPHORQUINONE, (1R)-bornane-2,3-dione, 124893_ALDRICH, CHEBI:36778, CID641916, ZINC01555410, 1,7,7-Trimethylbicyclo[2.2.1]heptane-2,3-dione, Bicyclo[2.2.1]heptane-2,3-dione, 1,7,7-trimethyl-, (1R)-1,7,7-trimethylbicyclo[2.2.1]heptane-2,3-dione, (1R,4S)-1,7,7-trimethylbicyclo[2.2.1]heptane-2,3-dione, 10373-78-1, InChI=1/C10H14O2/c1-9(2)6-4-5-10(9,3)8(12)7(6)11/h6H,4-5H2,1-3H, 465-29-2

Molecular Formula: C10H14O2Molecular Weight: 166.216960 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: VNQXSTWCDUXYEZ-LDWIPMOCSA-N

• (2R)-(-)-Glycidyl tosylate
IUPAC Name: [(2R)-oxiran-2-yl]methyl 4-methylbenzenesulfonate | CAS Registry Number: 113826-06-5
Synonyms: (R)-Glycidyl tosylate, (-)-Glycidyl tosylate, (R)-(-)-Glycidyl tosylate, CCRIS 6399, (R)-(-)-Glycidyl p-toluenesulfonate, BRN 3592142, Oxiranemethanol, 4-methylbenzenesulfonate, (R)-, (2R)-Oxiran-2-ylmethyl 4-methylbenzenesulfonate, (2R)-(-)-Glycidyl p-toluenesulfonate, PubChem5838, 5-17-03-00047 (Beilstein Handbook Reference), (2R)-Glycidyl tosylate, AC1L4BTR, R-(-)-Glycidyl tosylate, (R)-(-)-Glycidyltosylate, 540110_ALDRICH, Jsp001056, Jsp002303, ( R )-GLYCIDYL TOSYLATE, BIG1004

Molecular Formula: C10H12O4SMolecular Weight: 228.264880 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 4

InChIKey: NOQXXYIGRPAZJC-SECBINFHSA-N

• (R)-4-Benzyl-3-propionyl-2-oxazolidinone
IUPAC Name: (4R)-4-benzyl-3-propanoyl-1,3-oxazolidin-2-one | CAS Registry Number: 131685-53-5
Synonyms: (R)-(-)-4-Benzyl-3-propionyl-2-oxazolidinone, (R)-4-BENZYL-3-PROPIONYLOXAZOLIDIN-2-ONE, AG-D-64327, N-Propionyl-(4R)-Benzyl-2-Oxazolidinone, PubChem8128, SureCN237075, KSC497A5R, 459542_ALDRICH, CTK3J7058, MolPort-001-757-888, ACT01853, ANW-19372, ZINC00403114, AKOS015842713, OR14534, AC-18072, AK-47570, BR-47570, KB-63053, AB1007108

Molecular Formula: C13H15NO3Molecular Weight: 233.263100 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: WHOBYFHKONUTMW-LLVKDONJSA-N

• (R)-(+)-2,2-Dimethyl-1,3-dioxolane-4-carboxaldehyde
IUPAC Name: (4R)-2,2-dimethyl-1,3-dioxolane-4-carbaldehyde | CAS Registry Number: 15186-48-8
Synonyms: 454486_ALDRICH, NSC89869, SL-02829, TL8001119, (R)-()-2,2-Dimethyl-1,3-dioxolane-4-carboxaldehyde

Molecular Formula: C6H10O3Molecular Weight: 130.141800 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: YSGPYVWACGYQDJ-YFKPBYRVSA-N

• (S)-Piperazine-2-carboxyl-t-butylamide
IUPAC Name: (2S)-N-tert-butylpiperazine-2-carboxamide | CAS Registry Number: 166941-47-5
Synonyms: SCHEMBL1900804, OEZDMLLCIUSINT-ZETCQYMHSA-N, CP-090, AKOS022181255, (S)-2-Piperazine-tert-butylcarboxamide, AJ-82690, AK-60205, KB-309717, (s)-(-)-2-t-butyl-2-piperazinecarboxamide, (S)-N-(tert-Butyl)piperazine-2-carboxamide, FT-0643598, (S)-piperazine-2-carboxylic acid tert-butylamide, piperazine-2-(S)-carboxylic acid tert-butylamide

Molecular Formula: C9H19N3OMolecular Weight: 185.266660 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 3

InChIKey: OEZDMLLCIUSINT-ZETCQYMHSA-N

• (S)-4-Benzyl-1,3-thiazolidine-2-thione
IUPAC Name: (4S)-4-benzyl-1,3-thiazolidine-2-thione | CAS Registry Number: 171877-39-7
Synonyms: (S)-4-Benzylthiazolidine-2-thione, (S)-4-Benzyl-thiazolidine-2-thione, (s)-4-benzyl-1,3-thiazolidine-2-thione, 06357_FLUKA, CTK4D4077, MolPort-001-757-844, ANW-46762, ZINC12650485, AG-E-21205, OR14522, AK-60170, KB-63541, (4S)-4-benzyl-1,3-thiazolidine-2-thione, W3741, A13076, S14-2431

Molecular Formula: C10H11NS2Molecular Weight: 209.331040 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: SLDUGQISGRPGAW-VIFPVBQESA-N

• (2,4-Difluorophenylthio)acetonitrile
IUPAC Name: 2-(2,4-difluorophenyl)sulfanylacetonitrile | CAS Registry Number: 175277-63-1
Synonyms: ST51041459, 2-(2,4-difluorophenylthio)ethanenitrile, ZINC02557529, AC1MC6Q5, SureCN7960671, CTK4D5813, MolPort-000-146-725, SBB090274, AKOS009015527, AG-E-25666, KB-00924, 2-[(2,4-difluorophenyl)thio]acetonitrile, 2-(2,4-difluorophenyl)sulfanylacetonitrile, Acetonitrile,2-[(2,4-difluorophenyl)thio]-, FT-0604582, 2-[(2,4-difluorophenyl)sulfanyl]acetonitrile, 2-[2,4-bis(fluoranyl)phenyl]sulfanylethanenitrile, A812016, Acetonitrile,[(2,4-difluorophenyl)thio]- (9CI), I09-2798

Molecular Formula: C8H5F2NSMolecular Weight: 185.193806 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 4

InChIKey: PYIWAJKEBITMHT-UHFFFAOYSA-N

• (R)-(-)-2-Formylmandeloyl chloride
IUPAC Name: (2-chloro-2-oxo-1-phenylethyl) formate | CAS Registry Number: 29169-64-0
Synonyms: EINECS 249-478-4, (R)-alpha-(Formyloxy)benzeneacetyl chloride

Molecular Formula: C9H7ClO3Molecular Weight: 198.603080 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: ZNLABNPTWSKGDX-UHFFFAOYSA-N

• (R)-Piperazine-2-carboxylic acid
IUPAC Name: (2R)-piperazine-2-carboxylic acid | CAS Registry Number: 31321-68-3
Synonyms: (2R)-piperazine-2-carboxylic acid, (R)-Piperazine-2-carboxylicacid, AC1O6NDF, SureCN172309, (R)-2-Piperazinecarboxylate, Jsp005851, CHEBI:55357, CTK1C2385, MolPort-002-345-584, 2-(R)-Piperazine carboxylic acid, 2-Piperazinecarboxylicacid, (2R)-, ACT04806, (2R)-Piperazine-2-carboxylic acid;, ANW-27080, AKOS015854364, AC-2976, AG-A-07683, AM81366, OR15639, AK-28429

Molecular Formula: C5H10N2O2Molecular Weight: 130.145100 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 4

InChIKey: JSSXHAMIXJGYCS-SCSAIBSYSA-N

• (3-Benzyloxypropyl)triphenylphosphonium Bromide
IUPAC Name: triphenyl(3-phenylmethoxypropyl)phosphanium;bromide | CAS Registry Number: 54314-85-1
Synonyms: (3-Benzyloxypropyl)triphenylphosphonium bromide, ACMC-1ASQR, CTK5A0466, AKOS015913243, FT-0640237, I14-45559, Phosphonium,triphenyl[3-(phenylmethoxy)propyl]-, bromide (1:1)

Molecular Formula: C28H28BrOPMolecular Weight: 491.399082 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: DWYCJWXMZGVGJV-UHFFFAOYSA-M

• (1R,2R)-(-)-2-Amino-1-(4-nitrophenyl)-1,3-propanediol
IUPAC Name: (1R,2R)-2-amino-1-(4-nitrophenyl)propane-1,3-diol | CAS Registry Number: 716-61-0
Synonyms: Levoamine, Chloramphenicol base, A70704_ALDRICH, EINECS 211-938-7, LS-120138, TL8005023, D-(-)Threo-2-amino-1-(p-nitrophenyl)propane-1,3-diol, D-threo-(-)-2-Amino-1-(p-nitrophenyl)-1,3-propanediol, 1,3-Propanediol, 2-amino-1-(p-nitrophenyl)-, D-threo-(-)-, (1R,2R)-(−)-2-Amino-1-(4-nitrophenyl)-1,3-propanediol, D-(−)-threo-2-Amino-1-(p-nitrophenyl)-1,3-propanediol

Molecular Formula: C9H12N2O4Molecular Weight: 212.202580 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 5

InChIKey: OCYJXSUPZMNXEN-RKDXNWHRSA-N

• (+)-Usnic acid
IUPAC Name: (9bS)-2,6-diacetyl-7,9-dihydroxy-8,9b-dimethyldibenzofuran-1,3-dione | CAS Registry Number: 7562-61-0
Synonyms: Usninic acid, d-Usnic acid, Usnic acid, (-)-, NSC5890, AIDS028613, D-USNIC ACID (+490), AIDS-028613, NSC 5889, EINECS 228-181-3, NSC149788, 1,3(2H,9bH)-Dibenzofurandione, 2,6-diacetyl-7,9-dihydroxy-8,9b-dimethyl-, (9bS)-, (9bS)-2,6-diacetyl-7,9-dihydroxy-8,9b-dimethyl-(2H,9bH)-dibenzofuran-1,3-dione, 6159-66-6

Molecular Formula: C18H16O7Molecular Weight: 344.315440 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 7

InChIKey: CUCUKLJLRRAKFN-KKIBXBACSA-N


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