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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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• 4-(4-Fluorobenzoyl)piperidine hydrochloride
IUPAC Name: (4-fluorophenyl)-piperidin-4-ylmethanone hydrochloride | CAS Registry Number: 25519-78-2
Synonyms: EINECS 247-070-0, CID3084438, p-Fluorophenyl 4-piperidyl ketone hydrochloride, ST5407350

Molecular Formula: C12H15ClFNOMolecular Weight: 243.705003 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: GPKDBZQZPNOBGM-UHFFFAOYSA-N

• 1,10-decanediamine
IUPAC Name: decane-1,10-diamine | CAS Registry Number: 646-25-3
Synonyms: 1,10-Diaminodecane, Decyldiamine, 1,10-Decanediamine, Decamethylenediamine, 1,10-Decamethylenediamine, Lopac-D14204, Lopac0_000458, D14204_ALDRICH, WLN: Z10Z, 32880_FLUKA, EINECS 211-471-9, NSC 10400, NSC10400, BRN 1738591, PDSP1_000331, PDSP2_000329, NCGC00015388-01, NCGC00093873-01, NCGC00093873-02, LS-59288

Molecular Formula: C10H24N2Molecular Weight: 172.310960 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 2

InChIKey: YQLZOAVZWJBZSY-UHFFFAOYSA-N

• 4-Bromobenzylsulfonyl chloride
IUPAC Name: (4-bromophenyl)methanesulfonyl chloride | CAS Registry Number: 53531-69-4
Synonyms: (4-Bromophenyl)methanesulfonyl chloride, 4-bromobenzylsulphonyl chloride, [(4-bromophenyl)methyl]chlorosulfone, SBB066483, AG-F-84037, (4-Bromophenyl)methanesulphonyl chloride, benzenemethanesulfonyl chloride, 4-bromo-, PubChem2155, AC1LCBYY, ACMC-209l8j, AC1Q3VP9, KSC497S8B, CTK3J7980, MolPort-000-145-061, ACT03068, ANW-31793, AKOS002674349, AB21352, RP06476, AK117025

Molecular Formula: C7H6BrClO2SMolecular Weight: 269.543340 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: ZWVWFWGJZPHCHF-UHFFFAOYSA-N

• (4-Benzyl-1,4-oxazinan-2-yl)methylamine
IUPAC Name: (4-benzylmorpholin-2-yl)methanamine | CAS Registry Number: 110859-47-7
Synonyms: (4-benzylmorpholin-2-yl)methanamine, (4-BENZYL-1,4-OXAZINAN-2-YL)METHYLAMINE, (4-benzylmorpholin-2-yl)methylamine, SBB052505, AG-D-28605, 2-Morpholinemethanamine,4-(phenylmethyl)-, [4-benzylmorpholin-2-yl]methylamine, [4-(phenylmethyl)-2-morpholinyl]methanamine, [4-(phenylmethyl)morpholin-2-yl]methanamine, 214273-17-3, SDCCGMLS-0065968.P001, AC1MCQWU, ACMC-209xlm, SureCN1502000, AC1Q547W, AC1Q547X, CTK4A7073, MolPort-000-002-183, 4-Benzyl-2-(aminomethyl)morpholine, ACT01988

Molecular Formula: C12H18N2OMolecular Weight: 206.284120 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: CKZVBXBEDDAEFE-UHFFFAOYSA-N

• (S)-Piperidine-2-carboxylic acid methyl ester hydrochloride
IUPAC Name: methyl (2S)-piperidine-2-carboxylate;hydrochloride | CAS Registry Number: 18650-39-0
Synonyms: Methyl (S)-piperidine-2-carboxylate hydrochloride, methyl (2S)-piperidine-2-carboxylate hydrochloride, (S)-PIPERIDINE-2-CARBOXYLIC ACID METHYL ESTER HCL, PubChem24184, SureCN132158, CTK8E8593, MolPort-000-006-089, AKOS015908661, AKOS015949473, AG-L-22384, RP08907, AK-33856, BR-33856, AM20090088, FT-0637734, (S)-METHYL PIPERIDINE-2-CARBOXYLATE HCL, I14-34423, (L)-(-)-(S)-Piperidine-2-carboxylic acid methyl ester HCl salt, (S)-PIPERIDINE-2-CARBOXYLIC ACID METHYL ESTER HYDROCHLORIDE, 2-Piperidinecarboxylicacid, methyl ester, hydrochloride, (2S)- (9CI);2-Piperidinecarboxylic acid,methyl ester, hydrochloride, (S)-;Pipecolic acid, methyl ester, hydrochloride,(S)- (8CI);(S)-Piperidine-2-carboxylic acid methyl ester hydrochloride;2-(S)-Piperidinecarboxylic acid methyl ester hydrochloride;MethylL-2-piperidinecarboxylate hydrochloride;

Molecular Formula: C7H14ClNO2Molecular Weight: 179.644560 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: APCHKWZTSCBBJX-RGMNGODLSA-N

• (8-Bromo-3,4-Dihydro-2h-1,5-Benzodioxepin-7-Yl)(4-Bromophenyl)Methanone
IUPAC Name: (7-bromo-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-(4-bromophenyl)methanone | CAS Registry Number: 175136-37-5
Synonyms: (8-Bromo-3,4-Dihydro-2H-1,5-Benzodioxepin-7-Yl)(4-Bromophenyl)Methanone, ZINC01041987, AC1LOJKN, Maybridge4_000488, AC1Q24MG, Oprea1_060595, CTK4D5269, MolPort-001-004-783, HMS1522G04, BTB12836, CCG-40840, AKOS003592850, AG-E-24871, IDI1_031070, KB-146057, FT-0604849, SR-01000630953-1, BRD-K32197333-001-01-7, I14-35330, 7-bromo-8-(4-bromobenzoyl)-3,4-dihydro-2H-1,5-benzodioxepine

Molecular Formula: C16H12Br2O3Molecular Weight: 412.072680 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: UFUGCEORIIOXQG-UHFFFAOYSA-N

• 1,3-Dimethylpyrazole-5-carboxylic acid
IUPAC Name: 2,5-dimethylpyrazole-3-carboxylic acid | CAS Registry Number: 5744-56-9
Synonyms: ZERO/009877, CID587721, 1,3-Dimethyl-1H-pyrazole-5-carboxylic acid, Pyrazole-5-carboxylic acid, 1,3-dmethyl-, H09022, InChI=1/C6H8N2O2/c1-4-3-5(6(9)10)8(2)7-4/h3H,1-2H3,(H,9,10

Molecular Formula: C6H8N2O2Molecular Weight: 140.139920 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: QRWZFUBHOQWUGH-UHFFFAOYSA-N

• 3,5-Dichlorobenzyl chloride
IUPAC Name: 1,3-dichloro-5-(chloromethyl)benzene | CAS Registry Number: 3290-06-0
Synonyms: 1,3-Dichloro-5-(chloromethyl)benzene, SPB 00444, Benzene, 1,3-dichloro-5-(chloromethyl)-

Molecular Formula: C7H5Cl3Molecular Weight: 195.473600 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 0

InChIKey: ZFLRKAMKGYNFPH-UHFFFAOYSA-N

• 3-Hydroxymethyl-5-methylisoxazole
IUPAC Name: (5-methyl-1,2-oxazol-3-yl)methanol | CAS Registry Number: 35166-33-7
Synonyms: (5-methylisoxazol-3-yl)methanol, (5-methyl-1,2-oxazol-3-yl)methanol, (5-methyl-isoxazol-3-yl)-methanol, 5-Methylisoxazol-3-methanol, SBB025974, AG-F-21157, ZINC00158682, PubChem8686, AC1MC5VF, AC1Q2IOO, SureCN357108, 5-methyl-3-isoxazolemethanol, KSC222C9F, (5-methyl-3-isoxazolyl)methanol, CTK1C2192, MolPort-000-142-402, (5-methyl-isoxazol-3-yl)methanol, ACT07579, 3-(hydroxymethyl)-5-methylisoxazole, ANW-47238

Molecular Formula: C5H7NO2Molecular Weight: 113.114580 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: MDYHWQQHEWDJKR-UHFFFAOYSA-N

• 5-Hydrazino-2-Methylpyridine
IUPAC Name: (6-methylpyridin-3-yl)hydrazine | CAS Registry Number: 197516-48-6
Synonyms: 5-hydrazino-2-methylpyridine, 5-HYDRAZINYL-2-METHYLPYRIDINE, 5-Hydrazino-2-methyl-pyridine, Pyridine, 5-hydrazino-2-methyl-, 1-(6-methylpyridin-3-yl)hydrazine, (6-Methyl-pyridine-3-yl)-hydrazine, AG-E-44201, PubChem19456, SureCN368556, AC1Q2P34, AC1Q2P35, PYR127, CTK4E2216, Pyridine,5-hydrazinyl-2-methyl-, MolPort-003-986-570, (6-methylpyridine-3-yl)-hydrazine, ANW-63711, ZINC21298527, AKOS006350876, PB15841

Molecular Formula: C6H9N3Molecular Weight: 123.155760 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: XWKGPVBYRBTGRC-UHFFFAOYSA-N

• 2'-Hydroxy-6'-methoxyacetophenone
IUPAC Name: 1-(2-hydroxy-6-methoxyphenyl)ethanone | CAS Registry Number: 703-23-1
Synonyms: 303046_ALDRICH, Acetophenone, 2'-hydroxy-6'-methoxy-, EINECS 211-872-9, Ethanone, 1-(2-hydroxy-6-methoxyphenyl)-, ZINC00164091, 1-(2-hydroxy-6-methoxyphenyl)ethanone, 1-(2-Hydroxy-6-methoxyphenyl)ethan-1-one, ST5331358, InChI=1/C9H10O3/c1-6(10)9-7(11)4-3-5-8(9)12-2/h3-5,11H,1-2H

Molecular Formula: C9H10O3Molecular Weight: 166.173900 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: UENLHUMCIOWYQN-UHFFFAOYSA-N

• (R)-(+)-3-Aminoquinuclidine dihydrochloride
IUPAC Name: (3R)-1-azabicyclo[2.2.2]octan-3-amine;dihydrochloride | CAS Registry Number: 123536-14-1
Synonyms: (R)-3-Aminoquinuclidine dihydrochloride, (3R)-1-azabicyclo[2.2.2]octan-3-amine dihydrochloride, (3R)-Quinuclidin-3-amine dihydrochloride, (R)-(-)-3-Aminoquinuclidine dihydrochloride, (S)-(-)-3-Aminoquinuclidine dihydrochloride, PubChem9967, SureCN260467, SureCN7441414, 415715_ALDRICH, CTK3J6051, MolPort-001-769-432, ANW-44130, (R)-3-AMINOQUINUCLIDINE 2HCL, AKOS015845596, AKOS015894519, AC-4631, AC38289, AG-B-75127, PB27474, RP25674

Molecular Formula: C7H16Cl2N2Molecular Weight: 199.121340 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 2

InChIKey: STZHBULOYDCZET-KLXURFKVSA-N

• 3,4-Dichloroiodobenzene
IUPAC Name: 1,2-dichloro-4-iodobenzene | CAS Registry Number: 20555-91-3
Synonyms: Maybridge1_001437, 1,2-Dichloro-4-iodobenzene, 541753_ALDRICH, Benzene, 1,2-dichloro-4-iodo-, CID88591, EINECS 243-874-0, ST5410631

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

InChIKey: NADPFZNWCQIJJW-UHFFFAOYSA-N

• 1,3-Dimethyl-1h-Thieno[2,3-C]Pyrazole-5-Carboxylic Acid
IUPAC Name: 1,3-dimethylthieno[2,3-c]pyrazole-5-carboxylic acid | CAS Registry Number: 25252-46-4
Synonyms: 1,3-dimethyl-1H-thieno[2,3-c]pyrazole-5-carboxylic acid, 1,3-dimethylthieno[2,3-c]pyrazole-5-carboxylic acid, SDCCGMLS-0066039.P001, AC1MCR1N, SureCN1520694, AC1Q409X, AC1Q409Y, CTK1A1245, MolPort-000-142-678, ANW-59616, SBB092012, TD8159, AKOS001297894, AG-E-76824, CC22901, RP04038, AK-45240, KB-10419, FT-0606684, Y8443

Molecular Formula: C8H8N2O2SMolecular Weight: 196.226320 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: QRANSYHQSVJLHX-UHFFFAOYSA-N

• 1-(2,3-Dimethylphenyl)piperazine hydrochloride
IUPAC Name: 1-(2,3-dimethylphenyl)piperazine;hydrochloride | CAS Registry Number: 80836-96-0
Synonyms: 1-(2,3-DIMETHYLPHENYL)PIPERAZINE HYDROCHLORIDE, 1-(2,3-Xylyl)piperazine monohydrochloride, 1-(2,3-dimethylphenyl)-piperazine monohydrochloride, (2,3-dimethylphenyl)piperazine, chloride, PubChem8590, AGN-PC-00KJYT, SureCN1894847, KSC917S3L, 275182_ALDRICH, CTK8B7935, MolPort-003-251-311, BB_SC-6456, 1-(2,3-methylphenyl)piperazine HCl, ANW-58990, SBB000676, AKOS003852489, MCULE-2995736171, AC-15750, AK-51526, KB-146325

Molecular Formula: C12H19ClN2Molecular Weight: 226.745660 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 2

InChIKey: SHOLVQVIKRVCGQ-UHFFFAOYSA-N

• (S)-1-(2-Bromophenyl)ethanol
IUPAC Name: (1S)-1-(2-bromophenyl)ethanol | CAS Registry Number: 114446-55-8
Synonyms: 327247_ALDRICH, ZINC00389510, (S)-(−)-2-Bromo-alpha-methylbenzyl alcohol

Molecular Formula: C8H9BrOMolecular Weight: 201.060460 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: DZLZSFZSPIUINR-LURJTMIESA-N

• 2-Bromo-4,5-dimethoxyphenylacetic acid
IUPAC Name: 2-(2-bromo-4,5-dimethoxyphenyl)acetic acid | CAS Registry Number: 4697-62-5
Synonyms: Oprea1_173201, MLS000111526, NSC143407, CID138324, SMR000107448, ST5408952

Molecular Formula: C10H11BrO4Molecular Weight: 275.095940 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: MDOLAGJKKZEHHW-UHFFFAOYSA-N

• 1-(2-Fluorophenyl)-2-Propylamine
IUPAC Name: 1-(2-fluorophenyl)propan-2-amine | CAS Registry Number: 1716-60-5
Synonyms: o-Fluoro-alpha-methylphenethylamine, AKE-BBV-051936, BRN 2082933, Phenethylamine, o-fluoro-alpha-methyl-, CID121531, BBV-051936, LS-103525

Molecular Formula: C9H12FNMolecular Weight: 153.196683 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: GDSXNLDTQFFIEU-UHFFFAOYSA-N

• 5-Chloro-2-methoxyphenylboronic acid
IUPAC Name: (5-chloro-2-methoxyphenyl)boronic acid | CAS Registry Number: 89694-48-4
Synonyms: 5-Chloro-2-methoxybenzeneboronic Acid, (5-chloro-2-methoxyphenyl)boronic acid, (5-Chloro-2-Methoxyphenyl)Boranediol, 5-Chloro-2-methoxyphenylboronicacid, SBB052529, AG-H-62796, PubChem1782, 2-Borono-4-chloroanisole, ACMC-209r2j, SureCN322537, KSC489M2B, 512249_ALDRICH, AC1MC411, AC1Q44V0, CTK3I9620, MolPort-000-140-850, ACN-S004003, ACT09332, ANW-39353, 2-Borono-4-chlorophenyl methyl ether

Molecular Formula: C7H8BClO3Molecular Weight: 186.400620 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: FMBVAOHFMSQDGT-UHFFFAOYSA-N

• 2,4-Dimethoxyphenylboronic acid
IUPAC Name: (2,4-dimethoxyphenyl)boronic acid | CAS Registry Number: 133730-34-4
Synonyms: 483486_ALDRICH, BM398, ST5405989, TL8000801

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

InChIKey: SQTUYFKNCCBFRR-UHFFFAOYSA-N

• 3',5'-Dichloro-biphenyl-4-carbaldehyde
IUPAC Name: 4-(3,5-dichlorophenyl)benzaldehyde | CAS Registry Number: 221018-04-8
Synonyms: ZINC02386697, 4PNL-Q03-0, 4-(3,5-Dichlorophenyl)benzaldehyde, CID2758154

Molecular Formula: C13H8Cl2OMolecular Weight: 251.108020 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: YEFGGURFOJFIMZ-UHFFFAOYSA-N

• 1,4-Diphenyl-1-Butanone
IUPAC Name: 1,4-diphenylbutan-1-one | CAS Registry Number: 5407-91-0
Synonyms: 4-Phenylbutyrophenone, 1,4-Diphenyl-1-butanone, 1-Butanone, 1,4-diphenyl-, MLS001171228, NSC10735, CID79413, EINECS 226-471-4, ZINC01712441, SMR000592347, I01-3104, T5380237

Molecular Formula: C16H16OMolecular Weight: 224.297640 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: GBUMEGLMTNAXOM-UHFFFAOYSA-N

• (2-amino-pyridin-3-yl)-methanol
IUPAC Name: (2-aminopyridin-3-yl)methanol | CAS Registry Number: 23612-57-9
Synonyms: 2-Aminopyridine-3-methanol, 2-amino-3-hydroxymethyl pyridine, AA-0706, TL8006937

Molecular Formula: C6H8N2OMolecular Weight: 124.140520 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: FEIACFYXEWBKHU-UHFFFAOYSA-N

• 1,2-dichloro-3-iodobenzene
IUPAC Name: 1,2-dichloro-3-iodobenzene | CAS Registry Number: 2401-21-0
Synonyms: 2,3-Dichloroiodobenzene, 1,2-Dichloro-3-iodobenzene, EINECS 219-276-0, InChI=1/C6H3Cl2I/c7-4-2-1-3-5(9)6(4)8/h1-3

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

InChIKey: VGJKBWPZBVBXGI-UHFFFAOYSA-N

• (R)-(+)-Isobutyl D-lactate
IUPAC Name: 2-methylpropyl 2-hydroxypropanoate | CAS Registry Number: 61597-96-4
Synonyms: Isobutyl lactate, Isobutyl D-lactate, 2-methylpropyl 2-hydroxypropanoate, Propanoic acid, 2-hydroxy-, 2-methylpropyl ester, SBB061172, AG-G-90855, 585-24-0, 73523-02-1, R-(+)-isobutyl lactate, AGN-PC-0D5TIT, AC1L3OW4, AC1Q62ST, Isobutyl 2-hydroxypropanoate, CTK1G8424, MolPort-006-111-942, 2-Methylpropyl 2-hydroxypropionate, 2-methylpropyl 2-oxidanylpropanoate, EINECS 209-551-3, AR-1J2622, AKOS006229869

Molecular Formula: C7H14O3Molecular Weight: 146.184260 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: WBPAQKQBUKYCJS-UHFFFAOYSA-N

• [1,2,4]triazolo[1,5-A]pyrimidine-2-Carboxylic Acid
IUPAC Name: [1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylic acid | CAS Registry Number: 202065-25-6
Synonyms: ZERO/005020, ALBB-005412, STK298622, CID1263650, BAS 10157193, [1,2,4]Triazolo[1,5-a]pyrimidine-2-carboxylic acid, EU-0086819

Molecular Formula: C6H4N4O2Molecular Weight: 164.121560 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 5

InChIKey: SIJYLNWLBGNWSS-UHFFFAOYSA-N

• 2,4-dimethoxybenzoylacetonitrile
IUPAC Name: 3-(2,4-dimethoxyphenyl)-3-oxopropanenitrile | CAS Registry Number: 76569-43-2
Synonyms: 2,4-Dimethoxybenzoylacetonitrile, 3-(2,4-dimethoxyphenyl)-3-oxopropanenitrile, SBB019163, AG-H-05598, PubChem11974, AC1Q48XT, 2,4-dimethoxbenzoylacetonitrile, CTK5E3113, MolPort-001-791-330, STK661729, ZINC02579812, AKOS000197076, MCULE-2835909487, AK111395, Benzenepropanenitrile,2,4-dimethoxy-b-oxo-, KB-164814, ST4147406, A9702, FT-0604177

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

InChIKey: ZLENRTUQTZZRDG-UHFFFAOYSA-N

• 2-Bromothiophene-5-boronic acid
IUPAC Name: (5-bromothiophen-2-yl)boronic acid | CAS Registry Number: 162607-17-2
Synonyms: 5-Bromothiophene-2-boronic acid, 557684_ALDRICH, B1958G1, ST5405680, TL8007058

Molecular Formula: C4H4BBrO2SMolecular Weight: 206.853360 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 2

InChIKey: USJPOBDLWVCPGG-UHFFFAOYSA-N

• 4-Formylcinnamic acid
IUPAC Name: (E)-3-(4-formylphenyl)prop-2-enoic acid | CAS Registry Number: 23359-08-2
Synonyms: p-Formylcinnamicacid, p-Formylcinnamic acid, Ambap3171, 178764_ALDRICH, NSC74480, EINECS 245-608-9, 4-Formylcinnamic acid, predominantly trans, TL8003186

Molecular Formula: C10H8O3Molecular Weight: 176.168720 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: LBOUHDMYVURTMA-AATRIKPKSA-N

• 3,4-Difluorobenzyl Alcohol
IUPAC Name: (3,4-difluorophenyl)methanol | CAS Registry Number: 85118-05-4
Synonyms: 3,4-Difluorobenzyl alcohol, (3,4-Difluorophenyl)methanol, Benzenemethanol, 3,4-difluoro-, 290297_ALDRICH, ZINC00164814, JRD-0386, EINECS 285-657-3, CID522833, BBV-142457

Molecular Formula: C7H6F2OMolecular Weight: 144.118746 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: GNQLTCVBSGVGHC-UHFFFAOYSA-N

• 3-Ethyl-3-Oxetanemethanol
IUPAC Name: (3-ethyloxetan-3-yl)methanol | CAS Registry Number: 3047-32-3
Synonyms: 3-Ethyl-3-oxetanemethanol, 3-Ethyloxetane-3-methanol, 3-Oxetanemethanol, 3-ethyl-, (3-ethyl-3-oxetanyl)methanol, 444197_ALDRICH, 3-Ethyl-3-hydroxymethyl oxetane, EINECS 221-254-0, ZINC00396127, 346425-95-4

Molecular Formula: C6H12O2Molecular Weight: 116.158280 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: UNMJLQGKEDTEKJ-UHFFFAOYSA-N

• (4-Benzylmorpholin-2-yl)methanol
IUPAC Name: [(2S)-4-(phenylmethyl)morpholin-4-ium-2-yl]methanol | CAS Registry Number: 40987-24-4
Synonyms: ZINC00158726

Molecular Formula: C12H18NO2+Molecular Weight: 208.276820 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 2

InChIKey: WQNIKIMRIXHNFF-LBPRGKRZSA-O

• 1,3-Benzothiazole-2-carbaldehyde
IUPAC Name: 1,3-benzothiazole-2-carbaldehyde | CAS Registry Number: 6639-57-2
Synonyms: Benzothiazole-2-carbaldehyde, 2-Benzothiazolecarboxaldehyde, NSC49210, AIDS124745, AIDS-124745, NSC 49210, ZINC00158622, CC 06004

Molecular Formula: C8H5NOSMolecular Weight: 163.196400 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: RHKPJTFLRQNNGJ-UHFFFAOYSA-N

• 4-Hydrazino-2,6-Dimethylpyrimidine
IUPAC Name: (2,6-dimethylpyrimidin-4-yl)hydrazine | CAS Registry Number: 14331-56-7
Synonyms: 4-hydrazino-2,6-dimethylpyrimidine, 4-Hydrazinyl-2,6-Dimethylpyrimidine, 2,6-Dimethyl-4-hydrazinopyrimidine, (2,6-dimethylpyrimidin-4-yl)hydrazine, AC-907/25014145, ZINC00157903, AC1Q2OVU, AC1Q2OVV, AC1Q4VLG, AC1LEI10, SureCN2722102, CTK4C3569, MolPort-000-141-985, AR-1G2562, SBB086021, 2,6-dimethylpyrimidine-4-ylhydrazine, AKOS000279932, AG-D-85692, MCULE-1238299485, Pyrimidine,4-hydrazinyl-2,6-dimethyl-

Molecular Formula: C6H10N4Molecular Weight: 138.170400 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 4

InChIKey: HVAYIAWJHRUOBC-UHFFFAOYSA-N

• 2-methyl-1,3-cyclohexanedione
IUPAC Name: 2-methylcyclohexane-1,3-dione | CAS Registry Number: 1193-55-1
Synonyms: ghl.PD_Mitscher_leg0.98, 1-Methyl-2,6-cyclohexanedione, 2-Methyl-1,3-cyclohexanedione, 2-Methylcyclohexane-1,3-dione, Benzil-related compound, 51, M37935_ALDRICH, 1,3-dimethylcycloadipic ketone, 1,3-Cyclohexanedione, 2-methyl-, NSC54460, EINECS 214-773-9, TL8000517

Molecular Formula: C7H10O2Molecular Weight: 126.153100 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: VSGJHHIAMHUZKF-UHFFFAOYSA-N

• 3-Fluorobiphenyl
IUPAC Name: (3-fluoro-4-phenylphenyl)boronic acid | CAS Registry Number: 178305-99-2
Synonyms: 512109_ALDRICH, 2-Fluorobiphenyl-4-boronic acid, 2-Fluoro-4-biphenylylboronic acid, TF5027, ST5408206

Molecular Formula: C12H10BFO2Molecular Weight: 216.016003 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: BWYWXDFYJSIUBE-UHFFFAOYSA-N

• 1H-1,2,3-Triazole
IUPAC Name: 2H-triazole | CAS Registry Number: 288-36-8
Synonyms: Osotriazole, Triazole, V-triazole, 2H-1,2,3-triazole, 1,2,3-1H-Triazole, cpd with unspecified locants, 333662_ALDRICH, C2H3N3, CHEBI:35565, CHEBI:35566, ZINC04807252, TL806300, LS-155745, InChI=1/C2H3N3/c1-2-4-5-3-1/h1-2H,(H,3,4,5, 288-35-7, 37306-44-8

Molecular Formula: C2H3N3Molecular Weight: 69.065320 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: QWENRTYMTSOGBR-UHFFFAOYSA-N

• 2-Methoxy-2-Phenylethanol
IUPAC Name: 2-methoxy-2-phenylethanol | CAS Registry Number: 2979-22-8
Synonyms: 2-methoxy-2-phenylethanol, beta-Methoxyphenethyl alcohol, Benzeneethanol, beta-methoxy-, 335568_ALDRICH, MolPort-001-790-843, EINECS 221-030-2, CID102910, ZINC00389581, LT03332003, 104527-66-4

Molecular Formula: C9H12O2Molecular Weight: 152.190380 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: JDTUPLBMGDDPJS-UHFFFAOYSA-N

• 1,2-Epoxy-5-hexene
IUPAC Name: 2-but-3-enyloxirane | CAS Registry Number: 10353-53-4
Synonyms: Diallyl monoxide, Diallyl monooxide, 3-Butenyloxirane, 2-(3-Butenyl)oxirane, Oxirane, 3-butenyl-, 5,6-Epoxyhex-1-ene, 1-Hexene, 5,6-epoxy-, CCRIS 3748, Oxirane, 3-butenyl- (9CI), 260347_ALDRICH, EINECS 233-771-9, BRN 0104509, LS-75553, 5-17-01-00199 (Beilstein Handbook Reference)

Molecular Formula: C6H10OMolecular Weight: 98.143000 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: MUUOUUYKIVSIAR-UHFFFAOYSA-N

• 2-Methyl-3-hydroxymethyl pyridine
IUPAC Name: (2-methylpyridin-3-yl)methanol | CAS Registry Number: 56826-61-0
Synonyms: 535109_ALDRICH, NSC187783, (2-Methyl-pyridin-3-yl)-methanol, CID302564

Molecular Formula: C7H9NOMolecular Weight: 123.152460 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: PRMLMDSFLIHHSO-UHFFFAOYSA-N

• 2,6-Difluorobenzylamine
IUPAC Name: (2,6-difluorophenyl)methanamine | CAS Registry Number: 69385-30-4
Synonyms: 264393_ALDRICH, Benzenemethanamine, 2,6-difluoro-, JRD-0445, EINECS 273-983-9, SBB006568, InChI=1/C7H7F2N/c8-6-2-1-3-7(9)5(6)4-10/h1-3H,4,10H

Molecular Formula: C7H7F2NMolecular Weight: 143.133986 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: PQCUDKMMPTXMAL-UHFFFAOYSA-N

• (7-Bromo-2,3-Dihydro-1,4-Benzodioxin-6-Yl)(4-Bromophenyl)methanone
IUPAC Name: (6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-(4-bromophenyl)methanone | CAS Registry Number: 175136-40-0
Synonyms: (7-Bromo-2,3-Dihydro-1,4-Benzodioxin-6-Yl)(4-Bromophenyl)Methanone, ZINC01041996, AC1LOJKT, Maybridge1_002194, AC1Q24MH, Oprea1_131695, CTK4D5272, HMS547L16, MolPort-001-004-241, BTB12949, AKOS003592492, AG-E-24874, KB-146050, FT-0604843, I14-35326, 6-bromo-7-(4-bromobenzoyl)-2,3-dihydro-1,4-benzodioxine, (6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-(4-bromophenyl)methanone, Methanone,(7-bromo-2,3-dihydro-1,4-benzodioxin-6-yl)(4-bromophenyl)-

Molecular Formula: C15H10Br2O3Molecular Weight: 398.046100 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: LDEWYYUQJRXQRI-UHFFFAOYSA-N

• (5-Methyl-2-phenyl-2H-1,2,3-triazol-4-yl)methanol
IUPAC Name: (5-methyl-2-phenyltriazol-4-yl)methanol | CAS Registry Number: 13322-19-5
Synonyms: 2h-1,2,3-triazole-4-methanol, 5-methyl-2-phenyl-, ZINC00158830, AC1LBRW3, AC1Q2PWA, AC1Q4VAM, SureCN201295, CTK4B8421, MolPort-000-142-544, AR-1E1898, SBB090963, AKOS006227828, AG-J-01920, CC16209, RP03658, SDCCGMLS-0065990.P001, (5-methyl-2-phenyltriazol-4-yl)methanol, AK-58029, BP-11085, KB-02174, FT-0604822

Molecular Formula: C10H11N3OMolecular Weight: 189.213840 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: VYHJVMFMRIGUFV-UHFFFAOYSA-N

• 3-Chlorobenzoylacetonitrile
IUPAC Name: 3-(3-chlorophenyl)-3-oxopropanenitrile | CAS Registry Number: 21667-62-9
Synonyms: beta-ketonitrile 5b, 3-Chlorophenacyl cyanide, Maybridge1_004670, 681857_ALDRICH, NSC31892, AIDS472889, AIDS-472889, CID140855, ZINC00095614, 3-Chloro-beta-oxobenzenepropanenitrile, 3-Oxo-3-(3-chlorophenyl)propionitrile, ST5406922, Benzenepropanenitrile, 3-chloro-.beta.-oxo-

Molecular Formula: C9H6ClNOMolecular Weight: 179.603040 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: IUDFNNHFARLIPF-UHFFFAOYSA-N

• 4-Biphenylmethanol
IUPAC Name: (4-phenylphenyl)methanol | CAS Registry Number: 3597-91-9
Synonyms: p-Phenylbenzyl alcohol, 4-Phenylbenzyl alcohol, 4-BIPHENYLMETHANOL, 4-Hydroxymethylbiphenyl, Biphenyl-4-methanol, 4-(Hydroxymethyl)biphenyl, 4HMB, (1,1'-Biphenyl)-4-methanol, 123838_ALDRICH, [1,1'-Biphenyl]-4-methanol, EINECS 222-745-2, NSC 84169, NSC 233860, NSC84169, BRN 1937761, NSC233860, ZINC01736640, LS-44425, 4-06-00-04693 (Beilstein Handbook Reference), T5655041

Molecular Formula: C13H12OMolecular Weight: 184.233780 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: AXCHZLOJGKSWLV-UHFFFAOYSA-N

• (-)-Methyl (S)-3-Bromo-2-Methylpropionate
IUPAC Name: methyl (2S)-3-bromo-2-methylpropanoate | CAS Registry Number: 98190-85-3
Synonyms: Methyl (S)-(-)-3-Bromoisobutyrate, (-)-Methyl (S)-3-bromo-2-methylpropionate, (S)-(-)-3-Bromoisobutyric Acid Methyl Ester, (-)-Methyl (S)-beta-bromoisobutyrate, AC1NUHSN, propanoic acid, 3-bromo-2-methyl-, methyl ester, 324922_ALDRICH, AC1Q41I4, 17621_FLUKA, CTK5H9756, ANW-40912, (-)-Methyl (S)-|A-bromoisobutyrate, AKOS015833847, AKOS015894023, (S)-3-bromoisobutyric acid methyl ester, methyl (2S)-3-bromo-2-methylpropanoate, KB-05354, B2140, FT-0642361, Methyl (S)-(-)-3-Bromo-2-methylpropionate

Molecular Formula: C5H9BrO2Molecular Weight: 181.027760 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: FKWNAVCXZSQYTA-SCSAIBSYSA-N

• 1,3,5-Trimethyl-1H-pyrazol-4-amine
IUPAC Name: 1,3,5-trimethylpyrazol-4-amine | CAS Registry Number: 28466-21-9
Synonyms: 4-Amino-1,3,5-trimethylpyrazole, TOS-BB-1296, Pyrazole, 4-amino-1,3,5-trimethyl-, BRN 0110739, SBB006986, ZINC00159651, 1,3,5-trimethyl-1H-pyrazol-4-ylamine, LS-128041, 5-25-09-00512 (Beilstein Handbook Reference), AN-989/25109004

Molecular Formula: C6H11N3Molecular Weight: 125.171640 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: SSDGMKHZMNTWLS-UHFFFAOYSA-N

• 1-(2-Furylmethyl)-5-oxopyrrolidine-3-carboxylic acid
IUPAC Name: 1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxylic acid | CAS Registry Number: 175136-93-3
Synonyms: Maybridge1_003035, Oprea1_563525, ALBB-004390, CID2777280, SDCCGMLS-0066101.P001, ST5213907, 1-(2-furylmethyl)-5-oxopyrrolidine-3-carboxylic acid

Molecular Formula: C10H11NO4Molecular Weight: 209.198640 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: NFWHHUCJMAPGHE-UHFFFAOYSA-N

• 2,4-Dimethoxybenzyl alcohol
IUPAC Name: (2,4-dimethoxyphenyl)methanol | CAS Registry Number: 7314-44-5
Synonyms: Benzenemethanol, 2,4-dimethoxy-, 159638_ALDRICH, EINECS 230-775-2, ZINC00164135, AI3-52354, ST5406717

Molecular Formula: C9H12O3Molecular Weight: 168.189780 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: RNKOUSCCPHSCFE-UHFFFAOYSA-N

• 3,4,5-Trimethoxybenzoylacetonitrile
IUPAC Name: 3-oxo-3-(3,4,5-trimethoxyphenyl)propanenitrile

Molecular Formula: C12H13NO4Molecular Weight: 235.235920 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 5

InChIKey: GFEMIDXDJDTTKQ-UHFFFAOYSA-N


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