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ASDI Inc.

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Profile: ASDI Inc. is a contract research organization offering chemistry, sample preparation, and materials management services, as well as pharmaceutical, analytical & purification services. Our wide range of services and problem solving capabilities enable pharmaceutical, biotechnical & academic sectors to accelerate their drug discovery & research processes. We enable discovery for the global research community through innovation and increased efficiencies. We provide materials management services for the pharmaceutical and biotechnology industries around the world. We offer various chemical products including 2-propylpyrrolidine, n,n-dimethyl-4-(pyrrolidin-2-yl)aniline, 2-pyrrolidin-2-yl-pyridine, 2-thiophen-2-yl-pyrrolidine, 2-phenylpyrrolidine, 4-pyrrolidin-2-yl-pyridine, 3-pyrrolidin-2-yl-pyridine, 2-tert-butylpyrrolidine, 2-benzylpyrrolidine, 2-(4-methoxyphenyl)pyrrolidine, 2-(4-chlorophenyl)pyrrolidine, 2-(3-chlorophenyl)pyrrolidine and 2-(2-bromophenyl)pyrrolidine. We offer a variety of products to support early drug discovery, including high-throughput screening (HTS) libraries, fragment libraries, reagents/building blocks, and reactive intermediates. All libraries may be weighed, solubilized, and plated in accordance with client screening requirements. Our custom synthesizing capabilities are designed to provide synthetic support to laboratories and allow focusing on research. We are equipped with a variety of purification options including crystallization, distillation, and column chromatography. While column chromatography is often avoided for large-scale work, we are equipped to purify even kilograms of material using this technique.

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• (1,3-Dimethyl-1H-pyrazol-5-yl)methanol
IUPAC Name: (2,5-dimethylpyrazol-3-yl)methanol | CAS Registry Number: 57012-20-1
Synonyms: ZINC00158736, CID2776363, CC 12509, H09018

Molecular Formula: C6H10N2OMolecular Weight: 126.156400 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: GUJDKMVLHCJODO-UHFFFAOYSA-N

• 3,4-Dichlorophenylboronic Acid
IUPAC Name: (3,4-dichlorophenyl)boronic acid | CAS Registry Number: 151169-75-4
Synonyms: 3,4-Dichlorophenylboronic acid, 471917_ALDRICH, BM176, ST5405968, TL8001110

Molecular Formula: C6H5BCl2O2Molecular Weight: 190.819700 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 2

InChIKey: JKIGHOARKAIPJI-UHFFFAOYSA-N

• (1R,2S)-l-Nmethylephedrine Base
IUPAC Name: (1R,2S)-2-(dimethylamino)-1-phenylpropan-1-ol | CAS Registry Number: 552-79-4
Synonyms: Methylephedrine, Tybraine, N-Methylephedrine, Methylephedrine [BAN], Spectrum_000431, Spectrum2_001196, Spectrum3_000671, Spectrum4_000739, Spectrum5_001055, BSPBio_002361, KBioGR_001038, KBioSS_000911, N-METHYL(-)EPHEDRINE, DivK1c_000283, SPECTRUM2300220, SPBio_001271, 235210_ALDRICH, C11H17NO, EINECS 209-022-7, KBio1_000283

Molecular Formula: C11H17NOMolecular Weight: 179.258780 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: FMCGSUUBYTWNDP-ONGXEEELSA-N

• 2-trifluoromethylbenzoylacetonitrile
IUPAC Name: 3-oxo-3-[2-(trifluoromethyl)phenyl]propanenitrile | CAS Registry Number: 40018-10-8
Synonyms: 2-TRIFLUOROMETHYLBENZOYLACETONITRILE, 3-Oxo-3-[2-(Trifluoromethyl)Phenyl]Propanenitrile, 2-(Trifluoromethyl)benzoylacetonitrile, 3-oxo-3-(2-(trifluoromethyl)phenyl)propanenitrile, PubChem12078, SureCN740028, AC1Q4JB7, CTK4I2275, MolPort-001-778-054, PC9060, SBB094761, ZINC02579789, AKOS000185359, AG-F-41474, KB-85312, A6685, FT-0604223, 3-Oxo-3-(2-trifluoromethylphenyl)propionitrile, Benzenepropanenitrile, b-oxo-2-(trifluoromethyl)-

Molecular Formula: C10H6F3NOMolecular Weight: 213.155950 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 5

InChIKey: ULZOOHHGJMAKCY-UHFFFAOYSA-N

• 3,5-Dimethylisoxazole-4-boronic acid
IUPAC Name: (3,5-dimethyl-1,2-oxazol-4-yl)boronic acid | CAS Registry Number: 16114-47-9
Synonyms: BM305, SBB004160, 3,5-Dimethyl-isoxazole-4-boronic acid, TL8007125

Molecular Formula: C5H8BNO3Molecular Weight: 140.932920 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 4

InChIKey: DIIFZCPZIRQDIJ-UHFFFAOYSA-N

• 2-[(4-Chlorophenyl)thio]acetic Acid
IUPAC Name: 2-(4-chlorophenyl)sulfanylacetic acid | CAS Registry Number: 3405-88-7
Synonyms: Maybridge1_005876, p-Chlorophenylmercaptoacetic acid, p-Chlorophenylthioacetic acid, ((p-Chlorophenyl)thio)acetic acid, 2-(p-Chlorophenylthio)acetic acid, (4-Chlorophenylthio)acetic acid, CHEBI:389559, MolPort-000-002-482, NSC 33051, [(4-chlorophenyl)thio]acetic acid, [(4-Chlorophenyl)sulfanyl]acetic acid, ALBB-009422, CID55471, NSC33051, SN 4095, WR 5994, BRN 1871569, STK288043, (4-Chloro-phenylsulfanyl)-acetic acid, Acetic acid, ((p-chlorophenyl)thio)-

Molecular Formula: C8H7ClO2SMolecular Weight: 202.657980 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: YPKLXLYGMAWXDO-UHFFFAOYSA-N

• 4-Antipyrinecarboxaldehyde
IUPAC Name: 1,5-dimethyl-3-oxo-2-phenylpyrazole-4-carbaldehyde | CAS Registry Number: 950-81-2
Synonyms: Antipyraldehyde, Febranine, Antipyrinaldehyd, 4-Formylantipyrine, Antipyrine, 4-formyl-, MLS000720037, 123250_ALDRICH, NSC60408, EINECS 213-452-0, SBB000559, ZINC00119347, SMR000304566, 2,3-Dimethyl-5-oxo-1-phenyl-3-pyrazoline-4-carboxaldehyde, 1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazole-4-carbaldehyde, 1H-Pyrazole-4-carboxaldehyde, 2,3-dihydro-1,5-dimethyl-3-oxo-2-phenyl-, 2,3-Dihydro-1,5-dimethyl-3-oxo-2-phenyl-1H-pyrazole-4-carbaldehyde

Molecular Formula: C12H12N2O2Molecular Weight: 216.235880 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: QFYZFYDOEJZMDX-UHFFFAOYSA-N

• (R)-2-Methoxymethylpyrrolidine
IUPAC Name: (2R)-2-(methoxymethyl)pyrrolidine | CAS Registry Number: 84025-81-0
Synonyms: (R)-2-(Methoxymethyl)pyrrolidine, O-Methyl-D-prolinol, (R)-(-)-2-(Methoxymethyl)pyrrolidine, (2R)-2-(methoxymethyl)pyrrolidine, H-Pro-Ol-Me, PubChem8186, AC1LDOOH, D-O-METHYLPROLINOL, SureCN59330, H-D-PRO-OL(ME), AC1Q44JE, 65089_ALDRICH, D-PROLINOL METHYL ETHER, 65089_FLUKA, CTK5B7677, MolPort-001-768-438, ANW-37737, (R)-2-METHOXYMETHYLPYRROLIDINE, AKOS015851503, AG-G-33440

Molecular Formula: C6H13NOMolecular Weight: 115.173520 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: CHPRFKYDQRKRRK-ZCFIWIBFSA-N

• 3,5-Dimethoxybenzoylacetonitrile
IUPAC Name: 3-(3,5-dimethoxyphenyl)-3-oxopropanenitrile

Molecular Formula: C11H11NO3Molecular Weight: 205.209940 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 4

InChIKey: LKMXJVUYRSDTPZ-UHFFFAOYSA-N

• 4-Methylphenylboronic Acid
IUPAC Name: (4-methylphenyl)boronic acid | CAS Registry Number: 5720-05-8
Synonyms: p-Tolueneboronic acid, p-Tolylboronic acid, p-Methylbenzeneboronic acid, 4-Methylphenylboric acid, Boronic acid, p-tolyl-, p-Methylborophenylic acid, 4-Methylphenylboronic acid, Boronic acid, (4-methylphenyl)-, (4-methylphenyl)boronic acid, WLN: QBQR D1, 4-Methylbenzeneboronic acid, NCIOpen2_000259, 393622_ALDRICH, 90010_FLUKA, NSC 62870, BM033, ALBB-006111, NSC62870, BRN 2935970, NCGC00092015-01

Molecular Formula: C7H9BO2Molecular Weight: 135.956160 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 2

InChIKey: BIWQNIMLAISTBV-UHFFFAOYSA-N

• 2,6-Dimethylphenylboronic acid
IUPAC Name: (2,6-dimethylphenyl)boronic acid | CAS Registry Number: 100379-00-8
Synonyms: (2,6-Dimethlphenyl)borate, 480061_ALDRICH, CID583322, TE3085, TL8000047

Molecular Formula: C8H11BO2Molecular Weight: 149.982740 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 2

InChIKey: ZXDTWWZIHJEZOG-UHFFFAOYSA-N

• (S)-1-(4-Methylphenyl)ethylamine
IUPAC Name: (1S)-1-(4-methylphenyl)ethanamine | CAS Registry Number: 27298-98-2
Synonyms: (S)-(-)-1-(p-Tolyl)ethylamine, (S)-(-)-alpha,4-Dimethylbenzylamine, (R)-(+)-1-(p-Tolyl)ethylamine, (S)-(-)-4-(1-Aminoethyl)toluene, PubChem8023, SureCN334558, AC1Q29HX, (S)-1-(p-tolyl)ethylamine, (S)-1-(p-Tolyl)ethanamine, 405256_ALDRICH, CTK8B1354, MolPort-001-761-178, ACT10694, (1S)-1-(4-methylphenyl)ethanamine, ANW-26167, AKOS015969094, (1S)-1-(4-Methylphenyl)Ethan-1-Amine, (S)-(+)-1-(4-Methylphenyl)ethylamine, AK-49642, KB-03580

Molecular Formula: C9H13NMolecular Weight: 135.206220 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: UZDDXUMOXKDXNE-QMMMGPOBSA-N

• (1S,2S)-(+)-2-Benzyloxycyclopentylamine
IUPAC Name: (1S,2S)-2-phenylmethoxycyclopentan-1-amine | CAS Registry Number: 181657-57-8
Synonyms: (1S,2S)-2-BENZYLOXYCYCLOPENTYLAMINE, (1S,2S)-1-Amino-2-benzyloxycyclopentane, AC1Q4UBR, SureCN354350, CTK8C6368, BP-12371, KB-00809, (1S,2S)-trans-2-Benzyloxycyclopentylamine, (1S)-trans-2-(Phenylmethoxy)cyclopentanamine, (1S,2S)-2-(Benzyl-Oxy)Cyclopentan-1-Amine

Molecular Formula: C12H17NOMolecular Weight: 191.269480 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: JIMSXLUBRRQALI-RYUDHWBXSA-N

• (R)-(+)-1-Phenylethanol
IUPAC Name: 1-phenylethanol | CAS Registry Number: 1517-69-7
Synonyms: 1-Phenylethanol, Styrallyl alcohol, Styralyl alcohol, Methylphenyl carbinol, 1-Phenethyl alcohol, alpha-Phenylethanol, Methylphenylcarbinol, Phenylmethylcarbinol, Styrene alcohol, 1-Fenylethanol, Ethanol, 1-phenyl-, 1-Phenylethyl alcohol, (1-Hydroxyethyl)benzene, sec-Phenethyl alcohol, Methanol, methylphenyl-, 1-Phenylethan-1-ol, Fenyl-methylkarbinol, alpha-Phenylethyl alcohol, (S)-1-Phenylethanol, alpha-Phenethyl alcohol

Molecular Formula: C8H10OMolecular Weight: 122.164400 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: WAPNOHKVXSQRPX-UHFFFAOYSA-N

• 3,4-Dimethoxyphenylboronic Acid
IUPAC Name: (3,4-dimethoxyphenyl)boronic acid | CAS Registry Number: 122775-35-3
Synonyms: 3,4-Dimethoxyphenylboronic acid, 480118_ALDRICH, (3,4-dimethoxyphenyl)boronic acid, ALBB-006117, FS011456, ST5405684, TL8000609

Molecular Formula: C8H11BO4Molecular Weight: 181.981540 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 4

InChIKey: RCVDPBFUMYUKPB-UHFFFAOYSA-N

• 4,4'-phenyl isocyanate
IUPAC Name: 1,4-diisocyanatobenzene | CAS Registry Number: 104-49-4
Synonyms: 1,4-Diisocyanatobenzene, p-Phenylene diisocyanate, p-Phenylene isocyanate, 1,4-Phenylene diisocyanate, Isocyanic acid, p-phenylene ester, BENZENE, 1,4-DIISOCYANATO-, NCIOpen2_001342, 262242_ALDRICH, EINECS 203-207-6, NSC 94776, CID61009, NSC94776, LS-377, 1,4-Phenylene diisocyanate [Diisocyanates], Isocyanic acid, p-phenylene ester (6CI,7CI,8CI), 51807-23-9

Molecular Formula: C8H4N2O2Molecular Weight: 160.129560 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 4

InChIKey: ALQLPWJFHRMHIU-UHFFFAOYSA-N

• 2-(5-Bromo-2-Fluorophenyl)-1,3-Dioxolane
IUPAC Name: 2-(5-bromo-2-fluorophenyl)-1,3-dioxolane | CAS Registry Number: 679840-30-3
Synonyms: 2-(5-bromo-2-fluorophenyl)-1,3-dioxolane, AG-G-58703, 1-BROMO-3-(1,3-DIOXOLAN-2-YL)-4-FLUOROBENZENE, AC1Q4LUM, AGN-PC-01W9VX, SureCN1592114, CTK5C7062, MolPort-001-791-333, ANW-47359, AKOS015920331, AK-32110, BR-32110, EN002504, KB-223316, W7830, 1,3-Dioxolane, 2-(5-bromo-2-fluorophenyl)-

Molecular Formula: C9H8BrFO2Molecular Weight: 247.061023 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: WWJNPWYIXIIEJG-UHFFFAOYSA-N

• 4-Hydroxyphenylboronic Acid
IUPAC Name: (4-hydroxyphenyl)boronic acid | CAS Registry Number: 71597-85-8
Synonyms: 4-Hydroxyphenylboronic acid, 523976_ALDRICH, BM604, (4-HYDROXYPHENYL)BORONIC ACID, TL8005019

Molecular Formula: C6H7BO3Molecular Weight: 137.928980 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 3

InChIKey: COIQUVGFTILYGA-UHFFFAOYSA-N

• 4-methylthiophene-2-boronic acid
IUPAC Name: (4-methylthiophen-2-yl)boronic acid | CAS Registry Number: 162607-15-0
Synonyms: 4-Methylthiophene-2-boronic acid, M4580G1, NCGC00092019-01, AC 35960, TL8007126

Molecular Formula: C5H7BO2SMolecular Weight: 141.983880 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 2

InChIKey: DFUMIZDUIJNUJU-UHFFFAOYSA-N

• 1,3,5-Trimethyl-1H-pyrazole-4-carbaldehyde
IUPAC Name: 1,3,5-trimethylpyrazole-4-carbaldehyde | CAS Registry Number: 2644-93-1
Synonyms: ZINC00158804, ALBB-000091, CID736515, SBB000012, 1,3,5-trimethyl-1H-pyrazole-4-carbaldehyde

Molecular Formula: C7H10N2OMolecular Weight: 138.167100 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: HMTUBXVXHHITGO-UHFFFAOYSA-N

• (S)-3-Boc-aminopiperidine
IUPAC Name: tert-butyl N-[(3S)-piperidin-3-yl]carbamate | CAS Registry Number: 216854-23-8
Synonyms: (S)-3-N-Boc-aminopiperidine, (S)-tert-butyl piperidin-3-ylcarbamate, (S)-3-(Tert-Butoxycarbonylamino)Piperidine, (S)-3-(Boc-amino)piperidine, (s)-(-)-3-tert-Butoxycarbonylaminopiperidine, tert-butyl N-[(3S)-piperidin-3-yl]carbamate, (3s)-3-aminopiperidine, 3-boc protected, TERT-BUTYL (S)-PIPERIDIN-3-YLCARBAMATE, (s)-piperidin-3-yl-carbamic acid tert-butyl ester, S-3-(Boc-amino)piperidine, PubChem11542, PubChem12565, AC1LTT0O, AC1Q1MUN, SureCN342108, (s)-3-n-boc-amino piperidine, (s)-3-n-boc-amino-piperidine, Jsp004408, 08601_FLUKA, MolPort-000-001-731

Molecular Formula: C10H20N2O2Molecular Weight: 200.278000 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: WUOQXNWMYLFAHT-QMMMGPOBSA-N

• (S)-(+)-2-Amino-3-Cyclohexyl-1-Propanol Hydrochloride
IUPAC Name: (2S)-2-amino-3-cyclohexylpropan-1-ol;hydrochloride | CAS Registry Number: 117160-99-3
Synonyms: (S)-2-Amino-3-cyclohexylpropan-1-ol hydrochloride, 3-Cyclohexyl-L-alaninol, (S)-(+)-2-Amino-3-cyclohexyl-1-propanol hydrochloride, (S)-2-Amino-3-cyclohexylpropanol hydrochloride, (2S)-2-Amino-3-Cyclohexylpropan-1-Ol Hydrochloride, H-CHA-OL HCL, SureCN629206, 432261_ALDRICH, CTK8B4981, MolPort-003-925-580, ANW-46944, MB03388, L-CYCLOHEXYLALANINOL HYDROCHLORIDE, AK-55443, BR-55443, EN002729, KB-211133, 3-CYCLOHEXYL-L-ALANINOL HYDROCHLORIDE, X9191

Molecular Formula: C9H20ClNOMolecular Weight: 193.714200 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 2

InChIKey: BMHYDTXNZNVADC-FVGYRXGTSA-N

• 1,3-Dimethylpentylamine
IUPAC Name: 4-methylhexan-2-amine | CAS Registry Number: 105-41-9
Synonyms: Forthane, Forthan, Methylhexaneamine, 1,3-Dimethylamylamine, 4-Methyl-2-hexylamine, 2-Amino-4-methylhexane, 2-Hexanamine, 4-methyl-, PENTYLAMINE, 1,3-DIMETHYL-, C7H17N, NSC 1106, WLN: ZY & 1Y2, EINECS 203-296-1, NSC1106, 2-Hexanamine, 4-methyl- (9CI), BRN 1731697, AI3-16556, LS-102272, 4-04-00-00747 (Beilstein Handbook Reference)

Molecular Formula: C7H17NMolecular Weight: 115.216580 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: YAHRDLICUYEDAU-UHFFFAOYSA-N

• 1-(2-Chloro-3-Pyridyl)-3,3-Dimethyl-2-Azetidinone
IUPAC Name: 1-(2-chloropyridin-3-yl)-3,3-dimethylazetidin-2-one | CAS Registry Number: 339100-95-7
Synonyms: ST50827770, 1-(2-chloropyridin-3-yl)-3,3-dimethylazetidin-2-one, ZINC01401043, AC1LSESP, ACMC-1AIZA, AC1Q2COV, CTK4H1448, MolPort-001-791-122, AKOS015993639, AG-F-14772, MCULE-9978323041, 1-(2-chloro(3-pyridyl))-3,3-dimethylazetidin-2-one, 1-(2-chloro-3-pyridinyl)-3,3-dimethyl-2-azetanone, 1-(2-Chloro-3-pyridyl)-3,3-dimethyl-2-azetidinone, I14-56369, 2-Azetidinone,1-(2-chloro-3-pyridinyl)-3,3-dimethyl-

Molecular Formula: C10H11ClN2OMolecular Weight: 210.660140 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: FDKCNYDPODUNGI-UHFFFAOYSA-N

• (S)-(-)-Phenylethanol
IUPAC Name: (1S)-1-phenylethanol | CAS Registry Number: 1445-91-6
Synonyms: Styralyl alcohol, 1-Phenylethanol, Styrallyl alcohol, Methylphenylcarbinol, Phenylmethylcarbinol, (S)-1-Phenylethanol, 1-phenethan-1-ol, methylphenyl methanol, Methylphenyl carbinol, sec-Phenethyl alcohol, beta-Phenethyl alcohol, alpha-Phenethyl alcohol, beta-Hydroxyethylbenzene, 1-Phenyl ethan-1-ol, (S)-1-Phenethyl alcohol, 1-Phenyl ethyl alcohol, (1S)-1-phenylethanol, DL-sec-Phenethyl alcohol, S-1-PHENYLETHANOL, Alpha-methylbenzene alcohol

Molecular Formula: C8H10OMolecular Weight: 122.164400 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: WAPNOHKVXSQRPX-ZETCQYMHSA-N

• (R)-N-Benzyl-3-AminoPyrrolidine
IUPAC Name: (3R)-1-(phenylmethyl)pyrrolidin-3-amine | CAS Registry Number: 114715-39-8
Synonyms: 1-Benzyl-3-aminopyrrolidine, 536601_ALDRICH, (R)-1-benzyl-3-Aminopyrrolidine, C-3151R, SL-02159, TL8000416, (R)-(−)-1-Benzyl-3-aminopyrrolidine

Molecular Formula: C11H16N2Molecular Weight: 176.258140 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: HBVNLKQGRZPGRP-LLVKDONJSA-N

• 5-Methyl-2-thienylboric acid
IUPAC Name: (5-methylthiophen-2-yl)boronic acid | CAS Registry Number: 162607-20-7
Synonyms: 5-Methylthiophene-2-boronic acid, 512192_ALDRICH, 5-Methyl-2-thiopheneboronic acid, SBB004150, TL8007128

Molecular Formula: C5H7BO2SMolecular Weight: 141.983880 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 2

InChIKey: NRIYPIBRPGAWDD-UHFFFAOYSA-N

• 1,3,5-Trimethyl-1H-pyrazole-4-sulfonyl chloride
IUPAC Name: 1,3,5-trimethylpyrazole-4-sulfonyl chloride | CAS Registry Number: 59340-27-1
Synonyms: 1,3,5-trimethyl-1H-pyrazole-4-sulfonyl chloride, 1,3,5-trimethyl-1h-pyrazole-4-sulphonyl chloride, F2169-0654, 1,3,5-trimethylpyrazole-4-sulfonyl Chloride, AC1MC75P, AC1Q406S, CTK5A9825, MolPort-000-142-517, ALBB-000162, BBL013034, SBB022663, STK288947, trimethylpyrazole-4-sulfonyl chloride, AKOS000118252, AG-A-10283, AG-G-11461, MCULE-8647271200, RP04699, AK126536, AM804104

Molecular Formula: C6H9ClN2O2SMolecular Weight: 208.665860 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: QLSAMUCENQZGHN-UHFFFAOYSA-N

• (S)-Cyclohexylalanine
IUPAC Name: (2S)-2-amino-3-cyclohexylpropanoic acid | CAS Registry Number: 27527-05-5
Synonyms: (S)-2-amino-3-cyclohexylpropanoic acid, L-Cyclohexylalanine, (2S)-2-amino-3-cyclohexylpropanoic acid, L-3-Cyclohexylalanine, 3-Cyclohexyl-L-alanine, BETA-CYCLOHEXYL-ALANINE, (S)-2-Amino-3-cyclohexylpropionic acid, CHEMBL383208, SBB065823, H-Cha-OH, 3-cyclohexylalanine, 2-AMINO-3-CYCLOHEXYL-PROPIONIC ACID, beta-cyclohexylalanine, PubChem5760, AC1LEHTM, L-beta-Cyclohexylalanine, AC1Q5QKA, Maybridge4_003592, SCHEMBL123134, AC1Q4U81

Molecular Formula: C9H17NO2Molecular Weight: 171.240 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: ORQXBVXKBGUSBA-QMMMGPOBSA-N

• 3-(Trifluoromethyl) -5-Fluoro- Phenylboronic Acid
IUPAC Name: [3-fluoro-5-(trifluoromethyl)phenyl]boronic acid | CAS Registry Number: 159020-59-4
Synonyms: MolPort-000-150-017, CID2783192, FS002789, 3-(Trifluoromethyl)-5-fluoro-phenylboronic acid, [3-fluoro-5-(trifluoromethyl)phenyl]boronic Acid, I01-1704

Molecular Formula: C7H5BF4O2Molecular Weight: 207.918013 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 6

InChIKey: WEMCWZGCSRGJGW-UHFFFAOYSA-N

• (2-Bromo-3-thienyl)methylamine
IUPAC Name: (2-bromothiophen-3-yl)methanamine;hydrochloride | CAS Registry Number: 157664-47-6
Synonyms: 3-(Aminomethyl)-2-bromothiophene hydrochloride, (2-bromothiophen-3-yl)methanamine Hydrochloride, AC1MCTPL, CTK7E6794, MolPort-000-146-824, SPB08448, SBB097337, AG-B-93983, (2-bromo-3-thienyl)methylamine, chloride, (2-Bromothien-3-yl)methylamine hydrochloride, FT-0604604, (2-bromo-3-thiophenyl)methanamine hydrochloride, (2-bromanylthiophen-3-yl)methanamine hydrochloride, A809863, (2-BROMO-3-THIENYL)METHYLAMINE HYDROCHLORIDE

Molecular Formula: C5H7BrClNSMolecular Weight: 228.537780 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 2

InChIKey: RPJGSRWWVZLZBM-UHFFFAOYSA-N

• (3,5-Dimethyl-4-Isoxazolyl)methanol
IUPAC Name: (3,5-dimethyl-1,2-oxazol-4-yl)methanol | CAS Registry Number: 19788-36-4
Synonyms: 4-Isoxazolemethanol, 3,5-dimethyl-, NSC151752, CID289575, STK366546, ZINC00158505, (3,5-Dimethyl-4-isoxazolyl)methanol, BBV-5097216, (3,5-dimethyl-1,2-oxazol-4-yl)methanol

Molecular Formula: C6H9NO2Molecular Weight: 127.141160 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: JISPGFYJPXGNBY-UHFFFAOYSA-N

• (S)-(-)-2-Formamidosuccinic Anhydride
IUPAC Name: N-(2,5-dioxooxolan-3-yl)formamide | CAS Registry Number: 33605-73-1
Synonyms: Aspartic anhydride, N-formyl-, EINECS 251-589-8, CID118093, (S)-N-(Tetrahydro-2,5-dioxo-3-furyl)formamide

Molecular Formula: C5H5NO4Molecular Weight: 143.097500 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: DFTMVZIUYVECNW-UHFFFAOYSA-N

• 1,2,3,4-Tetrahydroquinoline
IUPAC Name: 1,2,3,4-tetrahydroquinoline | CAS Registry Number: 635-46-1
Synonyms: Kusol, Quinoline, 1,2,3,4-tetrahydro-, T15504_ALDRICH, W516007_ALDRICH, 87350_FLUKA, CID69460, NSC15311, EINECS 211-237-6, NSC 15311, AI3-10034, ST5213755, TL8004434, InChI=1/C9H11N/c1-2-6-9-8(4-1)5-3-7-10-9/h1-2,4,6,10H,3,5,7H, 165057-15-8, 86433-95-6

Molecular Formula: C9H11NMolecular Weight: 133.190340 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: LBUJPTNKIBCYBY-UHFFFAOYSA-N

• 1-(4-Chloro-2-methylphenyl)hydrazine hydrochloride
IUPAC Name: (4-chloro-2-methylphenyl)hydrazine | CAS Registry Number: 19690-59-6
Synonyms: ZINC00164682, CID587842, BBV-085225, Hydrazine, (4-chloro-o-tolyl)-, monohydrochloride, Hydrazine, (4-chloro-2-methylphenyl)-, monohydrochloride

Molecular Formula: C7H9ClN2Molecular Weight: 156.612760 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 2

InChIKey: YTWVOEWDYZBUNY-UHFFFAOYSA-N

• 1-(2-Furoyl)piperazine
IUPAC Name: furan-2-yl(piperazin-1-yl)methanone | CAS Registry Number: 40172-95-0
Synonyms: 2-Furoic piperazide, ChemDiv2_000230, 1-(2-Furoyl)-piperazine, Oprea1_198664, 558966_ALDRICH, furan-2-yl-piperazin-1-ylmethanone, EINECS 254-823-7, CID550206, Piperazine, 1-(2-furanylcarbonyl)-, SBB003747, SDCCGMLS-0065725.P001, LS-192020, EU-0033740

Molecular Formula: C9H12N2O2Molecular Weight: 180.203780 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: SADPINFEWFPMEA-UHFFFAOYSA-N

• 1,4-Dichloro-2-iodobenzene
IUPAC Name: 1,4-dichloro-2-iodobenzene | CAS Registry Number: 29682-41-5
Synonyms: 2,5-Dichloroiodobenzene, 177555_ALDRICH, Benzene, 1,4-dichloro-2-iodo-, EINECS 249-774-3, InChI=1/C6H3Cl2I/c7-4-1-2-5(8)6(9)3-4/h1-3

Molecular Formula: C6H3Cl2IMolecular Weight: 272.898490 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 0

InChIKey: SBHVNORGKIPGCL-UHFFFAOYSA-N

• 1,3-Dimethyluracil-5-carboxaldehyde
IUPAC Name: 1,3-dimethyl-2,4-dioxopyrimidine-5-carbaldehyde | CAS Registry Number: 4869-46-9
Synonyms: 1,3-DiMe-5-FormU, 1,3-Dimethyl-5-formyluracil, AIDS002840, MolPort-000-510-352, AIDS-002840, CID453092, ZINC02144331, T5621416, 5-Pyrimidinecarboxaldehyde, 1,2,3,4-tetrahydro-1,3-dimethyl-2,4-dioxo-

Molecular Formula: C7H8N2O3Molecular Weight: 168.150020 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: KGJFRZOATIXYPW-UHFFFAOYSA-N

• 2,5-Dimethoxyphenylacetic acid
IUPAC Name: 2-(2,5-dimethoxyphenyl)acetic acid | CAS Registry Number: 1758-25-4
Synonyms: Benzeneacetic acid, 2,5-dimethoxy-, NCIOpen2_000689, MLS000037734, D135801_ALDRICH, (2,5-Dimethoxyphenyl)acetic acid, (2,5-Dimethoxyphenyl)-acetic acid, Acetic acid, (2,5-dimethoxyphenyl)-, NSC74696, EINECS 217-151-5, NSC 74696, SMR000036664, AI3-52356, ST5036755, AC-907/25014280, InChI=1/C10H12O4/c1-13-8-3-4-9(14-2)7(5-8)6-10(11)12/h3-5H,6H2,1-2H3,(H,11,12

Molecular Formula: C10H12O4Molecular Weight: 196.199880 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: BBZDYQUXRFATHZ-UHFFFAOYSA-N

• 2,3-Dichlorobenzylamine
IUPAC Name: (2,3-dichlorophenyl)methylazanium | CAS Registry Number: 39226-95-4
Synonyms: ZINC00404005, CID6951258

Molecular Formula: C7H8Cl2N+Molecular Weight: 177.051120 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 0

InChIKey: JHBVZGONNIVXFJ-UHFFFAOYSA-O

• (+)-Menthyloxyacetic Acid
IUPAC Name: 2-[(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl]oxyacetic acid | CAS Registry Number: 94133-41-2
Synonyms: Levo-menthoxyacetic acid, (+)-Menthyloxyacetic acid, 448397_ALDRICH, EINECS 302-700-4, CID2733292, (1S-(1alpha,2beta,5alpha))-((5-Methyl-2-(1-methylethyl)cyclohexyl)oxy)acetic acid

Molecular Formula: C12H22O3Molecular Weight: 214.301280 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: CILPHQCEVYJUDN-AXFHLTTASA-N

• 1-NaphthaleneMethylamine
IUPAC Name: naphthalen-1-ylmethanamine | CAS Registry Number: 118-31-0
Synonyms: 1-Naphthalenemethylamine, 1-Naphthylmethanamine, 1-Naphthylmethylamine, Naphthalene-1-methylamine, 1-NAPHTHALENEMETHANAMINE, 1-(Aminomethyl)naphthalene, 127035_ALDRICH, EINECS 204-244-0

Molecular Formula: C11H11NMolecular Weight: 157.211740 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: NVSYANRBXPURRQ-UHFFFAOYSA-N

• (S)-(+)-2,2-Dimethyl-1,3-dioxolane-4-methanol
IUPAC Name: (2,2-dimethyl-1,3-dioxolan-4-yl)methanol | CAS Registry Number: 22323-82-6
Synonyms: Solketal, Glycerolacetone, Dioxolan, Acetone glycerol, Glycerol dimethylketal, Isopropylidene glycerol, Glycerol acetonide, DIOXOLANE, D-Acetone glycerol, Acetone monoglycerol ketal, Ambap651, Glycerinisopropylidene ether, 1,2-Isopropylideneglycerin, 1,2-Isopropylideneglycerol, 2,3-Isopropylideneglycerol, Glycerol acetonide (VAN), 1,2-O-Isopropylideneglycerol, 1,2-O,O-Isopropylideneglycerin, Glycerol, 1,2-O-isopropylidene, 2,3-(Isopropylidenedioxy)propanol

Molecular Formula: C6H12O3Molecular Weight: 132.157680 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: RNVYQYLELCKWAN-UHFFFAOYSA-N

• 2,2-Diphenyl-L-Prolinol
IUPAC Name: di(phenyl)-[(2S)-pyrrolidin-1-ium-2-yl]methanol | CAS Registry Number: 112068-01-6
Synonyms: ZINC03632772

Molecular Formula: C17H20NO+Molecular Weight: 254.346800 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 1

InChIKey: OGCGXUGBDJGFFY-INIZCTEOSA-O

• 1,2,3-Benzoxadiazole-5-carbaldehyde
IUPAC Name: 2,1,3-benzoxadiazole-5-carbaldehyde | CAS Registry Number: 32863-33-5
Synonyms: 2,1,3-benzoxadiazole-5-carbaldehyde, 2,1,3-Benzoxadiazole-5-carboxaldehyde, 5-Formylbenzofurazan, ZINC00158672, PubChem14542, AC1MCQV3, AC1Q6PWJ, 5-Formyl-2,1,3-benzoxadiazole, CTK1C1845, MolPort-000-142-386, ALBB-009344, SBB049848, STK500256, AKOS004911156, AG-F-10223, MCULE-6454126252, RP01561, AB1007538, BB 0261435, Y8734

Molecular Formula: C7H4N2O2Molecular Weight: 148.118860 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 4

InChIKey: STVDCFOBQWMSHN-UHFFFAOYSA-N

• (S)-(-)-1-(1-Naphthyl)ethylamine
IUPAC Name: (1S)-1-naphthalen-1-ylethanamine | CAS Registry Number: 10420-89-0
Synonyms: 237450_ALDRICH, 70712_FLUKA, 70713_FLUKA, (S)-1-(naphthalen-1-yl)ethanamine, (S)-alpha-Methyl-1-naphthalenemethanamine, AI3-26858, TL80073728, (S)-(−)-1-(1-Naphthyl)ethylamine, 1-Naphthalenemethanamine, alpha-methyl-, (alphaS)-, 1-Naphthalenemethanamine, alpha-methyl-, (S)-(-)-, (S)-(−)-alpha-Methyl-1-naphthalenemethylamine

Molecular Formula: C12H13NMolecular Weight: 171.238320 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: RTCUCQWIICFPOD-VIFPVBQESA-N

• 2-Phenoxylethylamine
IUPAC Name: 2-(phenoxy)ethanamine | CAS Registry Number: 1758-46-9
Synonyms: Phenoxyethylamine, 2-Phenoxyethylamine, 2-phenoxyethanamine, Ethanamine, 2-phenoxy-, 1-Amino-2-phenoxyethane, alpha-Phenoxy-beta-aminoethane, ETHYLAMINE, 2-PHENOXY-, 448400_ALDRICH, EINECS 217-153-6, BRN 0774671, LS-68267, ST5437561, TL8001395, 4-06-00-00663 (Beilstein Handbook Reference), InChI=1/C8H11NO/c9-6-7-10-8-4-2-1-3-5-8/h1-5H,6-7,9H

Molecular Formula: C8H11NOMolecular Weight: 137.179040 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: IMLAIXAZMVDRGA-UHFFFAOYSA-N

• 2-(4-Methoxyphenyl)-2-Phenylacetic Acid
IUPAC Name: 2-(4-methoxyphenyl)-2-phenylacetic acid

Molecular Formula: C15H14O3Molecular Weight: 242.269860 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: LLILURMTCOXPIU-UHFFFAOYSA-N

• 2-Fluoro-3-methoxyphenylboronic acid
IUPAC Name: (2-fluoro-3-methoxyphenyl)boronic acid | CAS Registry Number: 352303-67-4
Synonyms: 594253_ALDRICH, F3220G1, ST5408479

Molecular Formula: C7H8BFO3Molecular Weight: 169.946023 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 4

InChIKey: JCKZNMSBFBPDPM-UHFFFAOYSA-N

• 2-Chloro-4-(hydroxymethyl)pyridine
IUPAC Name: (2-chloropyridin-4-yl)methanol | CAS Registry Number: 100704-10-7
Synonyms: MLS000582507, (2-chloropyridin-4-yl)methanol, ZINC03883974, CID7062237, SMR000206493, 4Y-0721

Molecular Formula: C6H6ClNOMolecular Weight: 143.570940 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: UDDVPFLXGOBESH-UHFFFAOYSA-N


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