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• ACETIC PROPIONIC ANHYDRIDE
IUPAC Name: acetyl propanoate | CAS Registry Number: 13080-96-1
Synonyms: Acetic propionic anhydride, acetyl propanoate, AGN-PC-00K93A, CTK4B6937, ANW-60398, AKOS016003138, AG-D-62566, Propanoic acid,anhydride with acetic acid, AK101207, BD232746, KB-250609, Propionicacid, anhydride with AcOH (6CI,7CI); Propionic acid, anhydride with acetic acid(8CI); Acetic acid, anhydride with propionic acid (8CI); Acetic propionicanhydride; Acetyl propionate

Molecular Formula: C5H8O3Molecular Weight: 116.115220 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: KLUDQUOLAFVLOL-UHFFFAOYSA-N

• ACOTIAMIDUM
IUPAC Name: N-[2-[di(propan-2-yl)amino]ethyl]-2-[(2-hydroxy-4,5-dimethoxybenzoyl)amino]-1,3-thiazole-4-carboxamide | CAS Registry Number: 185106-16-5
Synonyms: Acotiamide, UNII-D42OWK5383, MZ-338, CID5282338, C14127

Molecular Formula: C21H30N4O5SMolecular Weight: 450.551700 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 7

InChIKey: TWHZNAUBXFZMCA-UHFFFAOYSA-N

• Aminoacetaldehyde diethyl acetal
IUPAC Name: 2,2-diethoxyethanamine | CAS Registry Number: 645-36-3
Synonyms: 2,2-Diethoxyethylamine, Ethanamine, 2,2-diethoxy-, Aminoacetaldehyde acetal, 2,2-Diethoxyethanamine, Glycinaldehyde diethyl acetal, A37200_ALDRICH, 2-Aminoacetaldehyde diethyl acetal, Acetaldehyde, amino-, diethyl acetal, 06570_FLUKA, NSC19501, EINECS 211-439-4, NSC 19501, SBB004213, .beta.-Aminoacetaldehyde diethyl acetal, .alpha.-Aminoacetaldehyde diethyl acetal, TL8004585, Acetaldehyde, amino-, diethyl acetal (8CI)

Molecular Formula: C6H15NO2Molecular Weight: 133.188800 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: HJKLEAOXCZIMPI-UHFFFAOYSA-N

• Anthracene, 2-bromo-9,10-di-2-naphthalenyl-
IUPAC Name: 2-bromo-9,10-dinaphthalen-2-ylanthracene | CAS Registry Number: 474688-76-1
Synonyms: 2-BROMO-9,10-BIS(2-NAPHTHALENYL)ANTHRACENE, AG-F-61547, 2-BROMO-9,10-DI(NAPHTHALEN-2-YL)ANTHRACENE, CTK4J0015, MolPort-009-198-205, ANW-51790, AKOS015835892, RL03771, AK-30560, BR-30560, KB-169065, FT-0650358, X4078, 2-bromo-9,10-bis(naphthalen-2-yl)anthracene, Anthracene,2-bromo-9,10-di-2-naphthalenyl-, 2-Bromo-9,10-bis(2-naphthalenyl)anthracene;, I14-15448

Molecular Formula: C34H21BrMolecular Weight: 509.434540 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 0

InChIKey: NNVPXSAMRFIMLP-UHFFFAOYSA-N

• Apremilast; CC 10004
IUPAC Name: N-[2-[(1S)-1-(3-ethoxy-4-methoxyphenyl)-2-methylsulfonylethyl]-1,3-dioxoisoindol-4-yl]acetamide | CAS Registry Number: 608141-41-9
Synonyms: Apremilast, CC-10004, Apremilast (USAN), SureCN302992, Apremilast (CC-10004), CHEMBL514800, QCR-202, CHEBI:558773, cas:608141-41-9;Apremilast, BCP9000311, CC10004, CS-0671, HY-12085, BCP0726000109, D08860, Apremilast|608141-41-9|CC10004|CC-10004, (S)-N-(2-(1-(3-ethoxy-4-methoxyphenyl)-2-(methylsulfonyl)ethyl)-1,3-dioxoisoindolin-4-yl)acetamide

Molecular Formula: C22H24N2O7SMolecular Weight: 460.500160 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 7

InChIKey: IMOZEMNVLZVGJZ-QGZVFWFLSA-N

• Asunaprevir (BMS-650032)
IUPAC Name: tert-butyl N-[(2S)-1-[(2S,4R)-4-(7-chloro-4-methoxyisoquinolin-1-yl)oxy-2-[[(1R)-1-(cyclopropylsulfonylcarbamoyl)-2-ethenylcyclopropyl]carbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate | CAS Registry Number: 630420-16-5
Synonyms: BMS650032, BMS 650032, Asunaprevir (USAN), Asunaprevir [USAN:INN], UNII-S9X0KRJ00S, D10093, 1,1-Dimethylethyl ((1S)-1-(((2S,4R)-4-(7-chloro-4methoxyisoquinolin-1-yloxy)-2- (((1R,2S)-1-((cyclopropylsulfonyl)carbamoyl)-2-ethenylcyclopropyl)carbamoyl) pyrrolidin-1-yl)carbonyl)-2,2-dimethylpropyl)carbamate, 1,1-dimethylethyl ((1S)-1-{((2S,4R)-4-(7-chloro-4-methoxyisoquinolin-1-yloxy)-2-({(1R,2S)-1-((cyclopropylsulfonyl)carbamoyl)-2-ethenylcyclopropyl}carbamoyl) pyrrolidin-1-yl)carbonyl}-2,2-dimethylpropyl)carbamate, 1214735-08-6, Cyclopropanecarboxamide, N-((1,1-dimethylethoxy)carbonyl)-3-methyl-L-valyl-(4R)-4- ((7-chloro-4-methoxy-1-isoquinolinyl)oxy)-L-prolyl-1-amino-N-(cyclopropylsulfonyl)-2- ethenyl-, (1R,2S)-

Molecular Formula: C35H46ClN5O9SMolecular Weight: 748.285840 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 10

InChIKey: XRWSZZJLZRKHHD-XVALYAAGSA-N

• Azetidine-3-ylmethyl-carbamic Acid Tert-butyl Ester
IUPAC Name: tert-butyl N-(azetidin-3-ylmethyl)carbamate | CAS Registry Number: 91188-15-7
Synonyms: 3-Boc-aminomethylazetidine, 3-(n-boc-aminomethyl)azetidine, 3-(boc-aminomethyl)azetidine, tert-butyl N-(azetidin-3-ylmethyl)carbamate, 3-boc-aminomethyl-azetidine, tert-butyl azetidin-3-ylmethylcarbamate, 3-(n-boc)aminomethylazetidine, tert-butylazetidin-3-ylmethylcarbamate, AG-H-74115, tert-butyl [(azetidin-3-yl)methyl]carbamate, azetidine-3-ylmethyl-carbamic acid tert-butyl ester, CARBAMIC ACID, N-(3-AZETIDINYLMETHYL)-, 1,1-DIMETHYLETHYL ESTER, 3-{[(tert-Butoxycarbonyl)amino]methyl}azetidine, 3-[[(TERT-BUTOXYCARBONYL)AMINO]METHYL]AZETIDINE, PubChem10158, AC1Q1NEP, AGN-PC-00OYUH, SureCN1034818, CTK3I6612, azetidin-3-yl(neopentyl)carbamate

Molecular Formula: C9H18N2O2Molecular Weight: 186.251420 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: MOLUHRBHXXGWDP-UHFFFAOYSA-N

• B-(6,9-Diphenyl-9H-carbazol-3-yl)boronic acid
IUPAC Name: (6,9-diphenylcarbazol-3-yl)boronic acid | CAS Registry Number: 1133058-06-6
Synonyms: SureCN322024, AGN-PC-0D33GA, AKOS016003421, (6,9-diphenylcarbazol-3-yl)boronic acid, AK-49266, X4076, 6,9-Diphenyl-9H-carbazol-3-yl-3-boronic acid

Molecular Formula: C24H18BNO2Molecular Weight: 363.216220 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 2

InChIKey: AIDQRXUWQFRMAQ-UHFFFAOYSA-N

• B-(9,9-diphenyl-9H-fluoren-2-yl)Boronic acid
IUPAC Name: (9,9-diphenylfluoren-2-yl)boronic acid | CAS Registry Number: 400607-31-0
Synonyms: (9,9-Diphenyl-9H-fluoren-2-yl)boronic acid, 9,9-diphenyl-9H-fluoreN-2-ylboronicacid, AK399056, SCHEMBL3199479, MolPort-042-624-167, MFCD22581299, AKOS027250618, ZINC202541708

Molecular Formula: C25H19BO2Molecular Weight: 362.235 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 2

InChIKey: CPFALCJMNUHBHP-UHFFFAOYSA-N

• B-(9-[1,1'-biphenyl]-4-yl-9H-carbazol-3-yl)Boronic acid
IUPAC Name: [9-(4-phenylphenyl)carbazol-3-yl]boronic acid | CAS Registry Number: 1028648-22-7
Synonyms: 9-(biphenyl-4-yl)-3-boric acid-9H-carbazole, (9-[1,1'-Biphenyl]-4-yl-9H-carbazol-3-yl)boronic acid, (9-([1,1'-Biphenyl]-4-yl)-9H-carbazol-3-yl)boronic acid, SCHEMBL3662775, AKOS027325484, ZINC202009162, AC-28768, AK319783, BC005309, SC-17859, 6,9-Diphenyl-9H-carbazol-3-ylboronic acid, N-(Biphenyl-4-yl)-3-carbazoleboronic acid

Molecular Formula: C24H18BNO2Molecular Weight: 363.223 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 2

InChIKey: HUSSQXMWKXPRRF-UHFFFAOYSA-N

• B-(9-phenyl-9H-carbazol-3-yl)Boronic acid
IUPAC Name: (9-phenylcarbazol-3-yl)boronic acid | CAS Registry Number: 854952-58-2
Synonyms: 9-Phenyl-9H-carbazol-3-ylboronic acid, (9-Phenyl-9H-carbazol-3-yl)boronic acid, (9-phenyl)carbazole-3-boronic acid, N-phenyl-carbazol-3-boronic acid, PubChem23232, G00061-Watson-Int, SureCN260470, Molecular Weight: 287.12, CTK8B4668, 3-Borono-9-phenyl-9H-carbazole, 9-phenylcarbazol-3-ylboronic acid, Molecular Formula: C18H14BNO2, MolPort-020-007-733, ANW-45850, AKOS015901275, CAS Number: 854952-58-2, LS11133, QC-1274, RP29960, AK-88639

Molecular Formula: C18H14BNO2Molecular Weight: 287.120260 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 2

InChIKey: JWJQEUDGBZMPAX-UHFFFAOYSA-N

• B-[4-[bis([1,1'-biphenyl]-4-yl)amino]phenyl]Boronic acid
IUPAC Name: [4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]boronic acid | CAS Registry Number: 943836-24-6
Synonyms: 4-(dibiphenyl-4-ylamino)phenylboronic acid, (4-(Di([1,1'-biphenyl]-4-yl)amino)phenyl)boronic acid, SCHEMBL2754556, BEBLXYZXQGRFKD-UHFFFAOYSA-N, MolPort-042-694-374, AKOS027338577, ZINC202013045, bisbiphenyl-4-yl-(4-boronophenyl)amine, AK340787, 4-[bis(biphenyl-4-yl)amino]phenylboronic acid, (4-(di([1,1'-biphenyl]-4-yl) amino)phenyl) boronic acid

Molecular Formula: C30H24BNO2Molecular Weight: 441.337 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: BEBLXYZXQGRFKD-UHFFFAOYSA-N

• B-[9,9-Bis(4-methylphenyl)-9H-fluoren-2-yl]boronic acid; 2-BATolF
IUPAC Name: [9,9-bis(4-methylphenyl)fluoren-2-yl]boronic acid | CAS Registry Number: 1193104-83-4
Synonyms: AK141264, (9,9-Di-p-tolyl-9H-fluoren-2-yl)boronic acid

Molecular Formula: C27H23BO2Molecular Weight: 390.281320 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 2

InChIKey: USGCGOMFCOSGCZ-UHFFFAOYSA-N

• Benzamidine Hydrochloride
IUPAC Name: benzenecarboximidamide hydrochloride | CAS Registry Number: 1670-14-0
Synonyms: Benzamidine hydrochloride, Benzamidinium chloride, Benzamidine, hydrochloride, Amidinobenzene hydrochloride, BENZAMIDINE HCL, Benzamidine, monohydrochloride, C7H8N2.HCl, Benzamidine monohydrochloride, Amidinobenzene hydrochloride (1:1), Benzenecarboximidamide hydrochloride, NSC 2020, 63226_FLUKA, EINECS 216-795-4, Benzamidine hydrochloride solution, Benzenecarboximidamide, monohydrochloride, NSC2020, benzenecarboximidamine hydrochloride, 434760_SIAL, Benzamidine hydrochloride 1 M solution, AI3-52285

Molecular Formula: C7H9ClN2Molecular Weight: 156.612760 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 2

InChIKey: LZCZIHQBSCVGRD-UHFFFAOYSA-N

• Benzene, 1-(bromomethyl)-4-(phenylmethoxy)-
IUPAC Name: 1-(bromomethyl)-4-phenylmethoxybenzene | CAS Registry Number: 5544-60-5
Synonyms: 4-Benzyloxybenzyl bromide, BBV-2082190, CID10492756, 1-(bromomethyl)-4-phenylmethoxy-benzene, I01-1453

Molecular Formula: C14H13BrOMolecular Weight: 277.156420 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: KHZAFUOYPXXJKO-UHFFFAOYSA-N

• Benzene, 1-iodo-3,5-dimethyl-
IUPAC Name: 1-iodo-3,5-dimethylbenzene | CAS Registry Number: 22445-41-6
Synonyms: 5-Iodo-m-xylene, 1-Iodo-3,5-dimethylbenzene, 392510_ALDRICH, CID140924, InChI=1/C8H9I/c1-6-3-7(2)5-8(9)4-6/h3-5H,1-2H

Molecular Formula: C8H9IMolecular Weight: 232.061530 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 0

InChIKey: ZLMKEENUYIUKKC-UHFFFAOYSA-N

• Benzene, 4-bromo-1-chloro-2-[(4-ethoxyphenyl)methyl]-
IUPAC Name: 4-bromo-1-chloro-2-[(4-ethoxyphenyl)methyl]benzene | CAS Registry Number: 461432-23-5
Synonyms: 4-bromo-1-chloro-2-(4-ethoxybenzyl)benzene, SBB054221, 4-(5-Bromo-2-chlorobenzyl)phenyl ethyl ether, PubChem19265, SureCN38150, AGN-PC-0CTD6H, BEN221, CTK1D5537, MolPort-008-266-773, ACN-S002204, AMX10146, ANW-66595, ZINC34781172, AKOS015917373, AG-B-99330, AK-37459, KB-41979, 5-Bromo-2-chloro-4'-ethoxydiphenylmethane, 2-(4-ethoxybenzyl)-4-bromo-1-chlorobenzene, AM20040524

Molecular Formula: C15H14BrClOMolecular Weight: 325.628060 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: ZUNCHZBITMUSRD-UHFFFAOYSA-N

• Benzeneacetic acid, 3-ethoxy-4-(ethoxycarbonyl)-
IUPAC Name: 2-(3-ethoxy-4-ethoxycarbonylphenyl)acetic acid | CAS Registry Number: 99469-99-5
Synonyms: 3-Ethoxy-4-ethoxycarbonyl phenylacetic acid, 2-(3-Ethoxy-4-(ethoxycarbonyl)phenyl)acetic acid, AG-I-01773, 4-Ethoxycarbonyl-3-ethoxyphenylacetic acid, 3-Ethoxy-4-(ethoxycarbonyl)phenylacetic acid, 3-ETHOXY-4-(ETHOXYCARBONYL)BENZENEACETIC ACID, (3-Ethoxy-4-(ethoxycarbonyl)phenyl)acetic acid, [3-ethoxy-4-(ethoxycarbonyl)phenyl]acetic acid, PubChem13653, ACMC-209scr, UNII-GG6C71LIOD, SureCN391346, KSC496G2B, Repaglinide related compound B, CTK3J6320, MolPort-001-758-023, ACT00935, ANW-41017, Repaglinide related compound B [USP], AKOS015919544

Molecular Formula: C13H16O5Molecular Weight: 252.263140 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 5

InChIKey: OTGSESBEJUHCES-UHFFFAOYSA-N

• Benzeneacetonitrile, 4-[2,3-dihydro-3-methyl-2-oxo-8-(3-quinolinyl)-1H-imidazo[4,5-c]quinolin-1-yl]-a,a-dimethyl-
IUPAC Name: 2-methyl-2-[4-(3-methyl-2-oxo-8-quinolin-3-ylimidazo[4,5-c]quinolin-1-yl)phenyl]propanenitrile | CAS Registry Number: 915019-65-7
Synonyms: NVP-BEZ235, BEZ235, BEZ-235, NVP-BEZ 235, BEZ 235, NVPBEZ235, 2-methyl-2-(4-(3-methyl-2-oxo-8-(quinolin-3-yl)-2,3-dihydro-1H-imidazo[4,5-c]quinolin-1-yl)phenyl)propanenitrile, NVP BEZ235, S1009_Selleck, Kinome_2911, NVP-BEZ-235, CHEBI:71952, MolPort-005-737-784, NVP-BEZ235, BEZ235, ZINC24760115, ST51056474, 2-Methyl-2-[4-[3-methyl-2-oxo-8-(quinolin-3-yl)-2,3-dihydroimidazo[4,5-c]quinolin-1-yl]phenyl]propionitrile, S14-0511, dactolisib, 2-(4-(2,3-dihydro-3-methyl-2-oxo-8-(quinolin-3-yl)imidazo[4,5-c]quinolin-1-yl)phenyl)-2-methylpropanenitrile

Molecular Formula: C30H23N5OMolecular Weight: 469.536520 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 4

InChIKey: JOGKUKXHTYWRGZ-UHFFFAOYSA-N

• BENZO(B)NAPHTHO(1,2-D)THIOPHENE
IUPAC Name: naphtho[2,1-b][1]benzothiole | CAS Registry Number: 205-43-6
Synonyms: BCR137R_FLUKA, Naphtho(2,1-b)thianaphthene, Naphtho[2,1-b]thianaphthene, Benzo[b]naphtho[1,2-d]thiophene, Benzo(b)naphtho(1,2-d)thiophene, CID9151, MolPort-003-940-574, BRN 0009635, LS-38595, 5-17-02-00434 (Beilstein Handbook Reference)

Molecular Formula: C16H10SMolecular Weight: 234.315600 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 0

InChIKey: XZUMOEVHCZXMTR-UHFFFAOYSA-N

• Benzo[4,5]thieno[3,2-d]pyrimidine-2,4(1H,3H)-dione
IUPAC Name: 1H-[1]benzothiolo[2,3-d]pyrimidine-2,4-dione | CAS Registry Number: 76872-87-2
Synonyms: SCHEMBL18018248, [1]Benzothieno[2,3-d]pyrimidine-2,4(1H,3H)-dione

Molecular Formula: C10H6N2O2SMolecular Weight: 218.230 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: ICFMFBRLUQVQAU-UHFFFAOYSA-N

• Benzo[b]thiophene, 4-methoxy-
IUPAC Name: 4-methoxy-1-benzothiophene | CAS Registry Number: 3781-90-6
Synonyms: SureCN827010, CTK1B5365

Molecular Formula: C9H8OSMolecular Weight: 164.224220 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: YPOBRGLUEDOCKJ-UHFFFAOYSA-N

• Benzo[b]thiophene-4-ol
IUPAC Name: 1-benzothiophen-4-ol | CAS Registry Number: 3610-02-4
Synonyms: 1-Benzothiophene-4-ol, Benzo(b)thiophene-4-ol, 4-Hydroxybenzo(b)thiophene, 4-Hydroxybenzo[b]thiophene, 4-HYDROXYBENZOTHIOPHENE, EINECS 222-776-1, BRN 0114904, LS-41271, 5-17-04-00199 (Beilstein Handbook Reference)

Molecular Formula: C8H6OSMolecular Weight: 150.197640 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: BMRZGYNNZTVECK-UHFFFAOYSA-N

• Benzofuro[3,2-d]pyrimidine-2,4(1H,3H)-dione
IUPAC Name: 1H-[1]benzofuro[3,2-d]pyrimidine-2,4-dione | CAS Registry Number: 62208-68-8
Synonyms: SureCN1309845, RB3192, 1H-BENZO[4,5]FURO[3,2-D]PYRIMIDINE-2,4-DIONE

Molecular Formula: C10H6N2O3Molecular Weight: 202.166240 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: SLFPKTKTPDVQEX-UHFFFAOYSA-N

• Benzoic Acid, 3-(phenylmethoxy)-
IUPAC Name: 3-phenylmethoxybenzoic acid | CAS Registry Number: 69026-14-8
Synonyms: 3-(benzyloxy)benzoic acid, Enamine_004835, Oprea1_819438, ARONIS013104, NSC211422, ALBB-008957, CID309226, STK163231, T0513-0467

Molecular Formula: C14H12O3Molecular Weight: 228.243280 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: CISXCTKEQYOZAM-UHFFFAOYSA-N

• Benzyl 4-bromophenyl ketone
IUPAC Name: 1-(4-bromophenyl)-2-phenylethanone | CAS Registry Number: 2001-29-8
Synonyms: 4-Bromodesoxybenzoin, Maybridge4_003239, 515531_ALDRICH, 1-(4-Bromophenyl)-2-phenylethanone, ZINC00085619, NCGC00176058-01, ST5320147, AH-034/01393018

Molecular Formula: C14H11BrOMolecular Weight: 275.140540 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: MOSIKPSTRPODHQ-UHFFFAOYSA-N

• Biphenyl-3-boronic acid
IUPAC Name: (3-phenylphenyl)boronic acid | CAS Registry Number: 5122-95-2
Synonyms: 3-Biphenylboronic acid, Phenylboronic Acid, 5, 542199_ALDRICH, B1680G1, ST5405954, TL8003393

Molecular Formula: C12H11BO2Molecular Weight: 198.025540 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 2

InChIKey: GOXICVKOZJFRMB-UHFFFAOYSA-N

• Biphenyl-3-Carbonyl Chloride
IUPAC Name: 3-phenylbenzoyl chloride

Molecular Formula: C13H9ClOMolecular Weight: 216.662960 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: FJAFGSULCGOKPU-UHFFFAOYSA-N

• Biphenyl-3-carbonylchloride
IUPAC Name: 3-phenylbenzoyl chloride | CAS Registry Number: 42498-44-2
Synonyms: Biphenyl-3-carbonyl chloride, ZINC02510969, ACMC-20alok, PubChem2150, 3-phenylbenzoyl chloride, AC1MBU3I, CTK6G5426, KB-200601

Molecular Formula: C13H9ClOMolecular Weight: 216.662960 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: FJAFGSULCGOKPU-UHFFFAOYSA-N

• Biphenyl-3-carboxylic acid
IUPAC Name: 3-phenylbenzoic acid | CAS Registry Number: 716-76-7
Synonyms: Diphenyl-3-carboxylic acid, 3-phenylbenzoic acid, 3-BIPHENYLCARBOXYLIC ACID, WLN: QVR CR, (1,1'-Biphenyl)-3-carboxylic acid, [1,1'-Biphenyl]-3-carboxylic acid, BM082, NSC 178898, NSC 408030, BRN 1868625, NSC178898, NSC408030, LS-44241, TL8005024, (1,1'-Biphenyl)-3-carboxylic acid (9CI), 4-09-00-02478 (Beilstein Handbook Reference), AE-641/02442054

Molecular Formula: C13H10O2Molecular Weight: 198.217300 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: XNLWJFYYOIRPIO-UHFFFAOYSA-N

• Bis((3,4-Epoxycyclohexyl)Methyl)Adipate
IUPAC Name: bis(7-oxabicyclo[4.1.0]heptan-3-ylmethyl) hexanedioate | CAS Registry Number: 3130-19-6
Synonyms: 406066_ALDRICH, EINECS 221-518-5, Bis((3,4-epoxycyclohexyl)methyl)adipate, Bis((3,4-epoxycyclohexyl)methyl) adipate, LS-75076, BIS(3,4-EPOXYCYCLOHEXYLMETHYL) ADIPATE, Hexanedioic acid, bis(7-oxabicyclo(4.1.0)hept-3-ylmethyl) ester

Molecular Formula: C20H30O6Molecular Weight: 366.448600 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 6

InChIKey: DJUWPHRCMMMSCV-UHFFFAOYSA-N

• bis([1,1'-biphenyl]-2-yl)amine
• Bis(neopentylglycolato)diboron
IUPAC Name: 2-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)-5,5-dimethyl-1,3,2-dioxaborinane | CAS Registry Number: 201733-56-4
Synonyms: Bis(neopentyl glycolato)diboron, 518808_ALDRICH, BM001, ST5405955, 5,5,5',5'-Tetramethyl-2,2'-bi-1,3,2-dioxaborinane

Molecular Formula: C10H20B2O4Molecular Weight: 225.885400 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 4

InChIKey: MDNDJMCSXOXBFZ-UHFFFAOYSA-N

• Bis(pinacolato)diborane
IUPAC Name: 4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane | CAS Registry Number: 73183-34-3
Synonyms: Bis(pinacolato)diboron, 473294_ALDRICH, BM002, TL806136, ST5405861, TL8006639, 4,4,4',4',5,5,5',5'-Octamethyl-2,2'-bi-1,3,2-dioxaborolane

Molecular Formula: C12H24B2O4Molecular Weight: 253.938560 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 4

InChIKey: IPWKHHSGDUIRAH-UHFFFAOYSA-N

• Bis(pinacolato)diboron (CAS: 3183-34-3)
• Boronic acid, (4'-chloro[1,1'-biphenyl]-4-yl)-
IUPAC Name: [4-(4-chlorophenyl)phenyl]boronic acid | CAS Registry Number: 364044-44-0
Synonyms: 4'-CHLORO-4-BIPHENYLBORONIC ACID, 4 -Chloro-4-biphenylboronic acid, PubChem15611, AGN-PC-00VAIZ, SureCN1954438, AMTB327, CTK4H6410, MolPort-000-931-777, 4'-Chloro-biphenyl-4-boronic acid, ANW-64135, AKOS004113830, AG-F-26803, [4-(4-chlorophenyl)phenyl]boronic acid, AK-44653, BR-44653, KB-190804, A-9127, A823230, Boronic acid,B-(4'-chloro[1,1'-biphenyl]-4-yl)-, (4'-CHLORO-[1,1'-BIPHENYL]-4-YL)BORONIC ACID

Molecular Formula: C12H10BClO2Molecular Weight: 232.470600 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 2

InChIKey: FVKZNRXWZCBUPY-UHFFFAOYSA-N

• Boronic acid, B-(10-phenyl-9-anthracenyl)-
IUPAC Name: (10-phenylanthracen-9-yl)boronic acid | CAS Registry Number: 334658-75-2
Synonyms: (10-phenylanthracen-9-yl)boronic acid, 10-Phenyl-9-anthracene boronic acid, PubChem19639, 9-Borono-10-phenylanthracene, CTK1C2028, 10-Phenyl-9-anthraceneboronic Acid, 10-phenylanthracen-9-ylboronic acid, ANW-53874, AKOS015901173, AG-F-12861, LS11066, RL03226, AK-87572, BD232220, KB-00206, AM20040198, P1984, X4087, I14-15444, (10-Phenyl-9-anthryl)boronic acid;10-Phenyl-9-anthracene boronic acid;

Molecular Formula: C20H15BO2Molecular Weight: 298.142900 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 2

InChIKey: RVPCPPWNSMAZKR-UHFFFAOYSA-N

• Boronic acid, B-[10-(2-naphthalenyl)-9-anthracenyl]-
IUPAC Name: (10-naphthalen-2-ylanthracen-9-yl)boronic acid | CAS Registry Number: 597554-03-5
Synonyms: 10-(2-NAPHTHYL)ANTHRACENE-9-BORONIC ACID, (10-(Naphthalen-2-yl)anthracen-9-yl)boronic acid, AG-G-13235, CTK5B0455, MolPort-019-905-113, ANW-65554, SBB071372, AKOS015901227, RL04257, AK-97071, KB-205032, FT-0687756, X4071, A21324, 9-(naphthalen-2-yl)anthracen-10-ylboronic acid, 10-(naphthalene-2-yl)-9-anthracene boronic acid, I14-7815, 9-(naphthalen-3-yl)anthracen-10-yl-10-boronic acid, Boronic acid,B-[10-(2-naphthalenyl)-9-anthracenyl]-, I14-15451

Molecular Formula: C24H17BO2Molecular Weight: 348.201580 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 2

InChIKey: YGVDBZMVEURVOW-UHFFFAOYSA-N

• Boronic acid, B-[4-(1-phenyl-1H-benzimidazol-2-yl)phenyl]-
IUPAC Name: [4-(1-phenylbenzimidazol-2-yl)phenyl]boronic acid | CAS Registry Number: 952514-79-3
Synonyms: AG-H-49726, (4-(1-Phenyl-1H-benzo[d]imidazol-2-yl)phenyl)boronic acid, 4-(1-PHENYL-1H-BENZO[D]IMIDAZOL-2-YL)PHENYLBORONIC ACID, SureCN167664, KSC657C1N, CTK5F7116, MolPort-019-905-600, ANW-63011, AKOS016004543, AK-96666, KB-48449, KB-123373, X4172, A22460, 4-(1-phenyl-1H-benzo[d]imidazole-2-yl)phenylboronic acid, 4-(1-PHENYL-1H-BENZIMIDAZOL-2-YL)PHENYLBORONIC ACID, Boronic acid, B-[4-(1-phenyl-1H-benzimidazol-2-yl)phenyl], Boronic acid,B-[4-(1-phenyl-1H-benzimidazol-2-yl)phenyl]-, Boronic acid,B-[4-(2-phenyl-1H-benzimidazol-1-yl)phenyl]-, Boronicacid, [4-(2-phenyl-1H-benzimidazol-1-yl)phenyl]- (9CI);

Molecular Formula: C19H15BN2O2Molecular Weight: 314.145600 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: PBSIVXAPTBHFFV-UHFFFAOYSA-N

• Boronic acid, B-[4-(2-phenyl-1H-benzimidazol-1-yl)phenyl]-
IUPAC Name: [4-(2-phenylbenzimidazol-1-yl)phenyl]boronic acid | CAS Registry Number: 867044-33-5
Synonyms: (4-(2-Phenyl-1H-benzo[d]imidazol-1-yl)phenyl)boronic acid, PubChem22319, SureCN3735413, ANW-45395, AKOS015901299, QC-8162, AK-68301, BR-68301, FT-0690041, X4072, I14-15458, [4-(2-Phenyl-1H-benzimidazol-1-yl)phenyl]boronic acid

Molecular Formula: C19H15BN2O2Molecular Weight: 314.145600 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: RCOAUYBPVRIYBG-UHFFFAOYSA-N

• Boronic acid, B-[4-[bis(4-methylphenyl)amino]phenyl]-
IUPAC Name: 2-bromo-9,9-diphenylfluorene | CAS Registry Number: 474918-32-6
Synonyms: 2-Bromo-9,9-diphenylfluorene, AG-F-61620, 2-BROMO-9,9-DIPHENYL-9H-FLUORENE, SureCN802764, 2-Bromo-9,5-diphenylfluorene, 2-Dibromo-9,9-diphenylfluorene, CTK4J0037, MolPort-019-904-705, 2-bromanyl-9,9-diphenyl-fluorene, ANW-30531, ZINC45329806, 9H-Fluorene,2-bromo-9,9-diphenyl-, AKOS015896321, RL03772, AK-90113, KB-23571, FT-0654134, ST51053362, X4129, A827246

Molecular Formula: C25H17BrMolecular Weight: 397.306480 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 0

InChIKey: WNXNWOBGPRKOJF-UHFFFAOYSA-N

• Bromoacetaldehyde Diethyl Acetal
IUPAC Name: 2-bromo-1,1-diethoxyethane | CAS Registry Number: 2032-35-1
Synonyms: Bromoacetal, Bromacetal, Diethyl bromoacetal, 2-Bromo-1,1-diethoxyethane, 2,2-Diethoxyethyl bromide, Bromoacetaldehyde diethyl acetal, Ethane, 2-bromo-1,1-diethoxy-, 1,1-Diethoxy-2-bromoethane, 1-Bromo-2,2-diethoxyethane, Diethyl bromoacetaldehyde acetal, Acetaldehyde, bromo-, diethyl acetal, 2-Bromoacetaldehyde diethyl acetal, 123986_ALDRICH, NSC8036, NSC 8036, EINECS 217-989-1, ZINC00164403, BROMACETALDEHYDE DIETHYL ACETAL, .alpha.-Bromoacetaldehyde diethyl acetal, SB 00588

Molecular Formula: C6H13BrO2Molecular Weight: 197.070220 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: LILXDMFJXYAKMK-UHFFFAOYSA-N

• Butyl Cyanoacetate
IUPAC Name: butyl 2-cyanoacetate | CAS Registry Number: 5459-58-5
Synonyms: Butyl cyanoacetate, n-Butyl cyanoacetate, Acetic acid, cyano-, butyl ester, 245704_ALDRICH, EINECS 226-730-1, NSC24260, BRN 1761735, ZINC01609011, LS-11490, 4-02-00-01891 (Beilstein Handbook Reference)

Molecular Formula: C7H11NO2Molecular Weight: 141.167740 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: DJACTCNGCHPGOI-UHFFFAOYSA-N

• C-isoquinolin-4-yl-methylamine
IUPAC Name: isoquinolin-4-ylmethanamine | CAS Registry Number: 58123-56-1
Synonyms: (ISOQUINOLIN-4-YL)METHANAMINE, Isoquinoline-4-methylamine, isoquinolin-4-ylmethanamine, C-ISOQUINOLIN-4-YL-METHYLAMINE, Isoquinolin-4-yl-methylamine, 4-ISOQUINOLINEMETHANAMINE, 4-isoquinolinylmethanamine, AGN-PC-00JQNW, SureCN4045763, CTK7E6825, (4-ISOQUINOLINYLMETHYL)AMINE, WTI-11074, AKOS013284671, AB28215, AG-C-78662, AG-G-05518, RP02033, AK140177, Y9536, C-1714

Molecular Formula: C10H10N2Molecular Weight: 158.199800 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: ZTMHEIRKNHCJEG-UHFFFAOYSA-N

• Canagliflozin
IUPAC Name: (2S,3R,4R,5S,6R)-2-[3-[[5-(4-fluorophenyl)thiophen-2-yl]methyl]-4-methylphenyl]-6-(hydroxymethyl)oxane-3,4,5-triol | CAS Registry Number: 842133-18-0
Synonyms: Invokana, UNII-6S49DGR869, CHEBI:73274, TA 7284, Canagliflozin hydrate, TA-7284, JNJ-28431754, 1-(Glucopyranosyl)-4-methyl-3-(5-(4-fluorophenyl)-2-thienylmethyl)benzene, D-Glucitol, 1,5-anhydro-1-C-[3-[[5-(4-fluorophenyl)-2-thienyl]methyl]-4-methylphenyl]-, (1S)-, JNJ-24831754-ZAE, JNJ-28431754-AAA, (1S)-1,5-Anhydro-1-(3-((5-(4-fluorophenyl)-2-thienyl)methyl)-4-methylphenyl)-D-glucitol, (1S)-1,5-anhydro-1-(3-{[5-(4-fluorophenyl)-2-thienyl]methyl}-4-methylphenyl)-D-glucitol, (1s)-1,5-anhydro-1-c-(3-((5-(4-fluorophenyl)-2-thienyl)methyl)-4-methylphenyl)-d-glucitol, (1S)-1,5-Anhydro-1-C-[3-[[5-(4-fluorophenyl)-2-thienyl]methyl]-4-methylphenyl]-D-glucitol, Canagliflozin anhydrous, SureCN157162, cc-209, GLU008, CHEMBL2048484

Molecular Formula: C24H25FO5SMolecular Weight: 444.515703 [g/mol]
H-Bond Donor: 4H-Bond Acceptor: 7

InChIKey: XTNGUQKDFGDXSJ-ZXGKGEBGSA-N

• Canagliflozin heMihydrate
IUPAC Name: (2S,3R,4R,5S,6R)-2-[3-[[5-(4-fluorophenyl)thiophen-2-yl]methyl]-4-methylphenyl]-6-(hydroxymethyl)oxane-3,4,5-triol;hydrate | CAS Registry Number: 928672-86-0
Synonyms: UNII-0SAC974Z85, CHEBI:73272, Canagliflozin hydrate, JNJ-24831754-ZAE, JNJ-28431754-AAA, Invokana (TN), canagliflozin hemihydrate, Canagliflozin (USAN/INN), Canagliflozin hydrate (JAN), CHEMBL2103841, 0SAC974Z85, D09592, (1S)-1,5-Anhydro-1-(3-((5-(4-fluorophenyl)-2-thienyl)methyl)-4-methylphenyl)-D-glucitol hemihydrate, (1S)-1,5-anhydro-1-(3-{[5-(4-fluorophenyl)-2-thienyl]methyl}-4-methylphenyl)-D-glucitol--water (2/1)

Molecular Formula: C48H52F2O11S2Molecular Weight: 907.046686 [g/mol]
H-Bond Donor: 9H-Bond Acceptor: 15

InChIKey: VHOFTEAWFCUTOS-TUGBYPPCSA-N

• Carbamic acid, N-(4-bromo-2-pyridinyl)-, 1,1-dimethylethyl ester
IUPAC Name: tert-butyl N-(4-bromopyridin-2-yl)carbamate | CAS Registry Number: 207799-10-8
Synonyms: tert-butyl 4-bromopyridin-2-ylcarbamate, 2-(Boc-amino)-4-bromopyridine, tert-Butyl (4-bromopyridin-2-yl)carbamate, Tert-butyl N-(4-bromopyridin-2-yl)carbamate, N-Boc-4-Bromo-2-amine-pyridine, SBB054267, AG-E-52525, tert-Butyl4-bromopyridin-2-ylcarbamate, PubChem21996, ACMC-209fe2, SureCN1133582, AGN-PC-00E0D7, CTK4E5085, MolPort-004-969-065, ACT10779, AB2730, ANW-24216, ZINC20358039, AKOS015892103, PB34352

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

InChIKey: IRRRVCLDPODLJG-UHFFFAOYSA-N

• Carbamic Acid, N-(cis-4-Hydroxycyclohexyl)-, 1,1-Dimethylethyl Ester
IUPAC Name: tert-butyl N-(4-hydroxycyclohexyl)carbamate | CAS Registry Number: 167081-25-6
Synonyms: 111300-06-2, boc-trans-4-aminocyclohexanol, trans-4-Boc-aminocyclohexanol, 4-N-BOC-AMINO-CYCLOHEXANOL, trans-n-boc-4-amino-cyclohexanol, TERT-BUTYL CIS-4-HYDROXYCYCLOHEXYLCARBAMATE, trans-4-(tert-Butoxycarbonylamino)cyclohexanol, 224309-64-2, trans-4-Boc-amino-1-cyclohexanol, 4-(BOC-AMINO)CYCLOHEXANOL, (4-HYDROXY-CYCLOHEXYL)-CARBAMIC ACID TERT-BUTYL ESTER, tert-butyl (4-hydroxycyclohexyl)carbamate, trans-4-aminocyclohexanol, n-boc protected, trans-4-Boc- Aminocyclohexanol, trans-4-n-boc-aminocyclohexanol, trans-n-4-boc-aminocyclohexanol, AG-D-29566, AG-E-16453, cis-(4-Hydroxycyclohexyl)carbamic acid tert-butyl ester, N-BOC-TRANS-4-AMINOCYCLOHEXANOL

Molecular Formula: C11H21NO3Molecular Weight: 215.289340 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: DQARDWKWPIRJEH-UHFFFAOYSA-N

• Carboxyprimaquine
IUPAC Name: 4-[(6-methoxyquinolin-8-yl)amino]pentanoic acid | CAS Registry Number: 77229-68-6
Synonyms: Cmpamoq, AmbcmbSNG00191, CID127542, 8-(3-Carboxy-1-methylpropylamino)-6-methoxyquinoline, Pentanoic acid, 4-((6-methoxy-8-quinolinyl)amino)-

Molecular Formula: C15H18N2O3Molecular Weight: 274.315020 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 5

InChIKey: KIMKJIXTIWKABF-UHFFFAOYSA-N

• Chloro Propyl Trimethoxy Silane
IUPAC Name: 3-chloropropyl(trimethoxy)silane | CAS Registry Number: 2530-87-2
Synonyms: (3-Chloropropyl)trimethoxysilane, Sila-Ace S 620, CPS-M, Silane, (3-chloropropyl)trimethoxy-, 3-Chloropropyltrimethyoxysilane, 3-Chloropropyltrimethoxysilane, NCIOpen2_001219, Trimethoxy(3-chloropropyl)silane, Dow Corning product Z-6076, KBM 703, 3-(Trimethoxysilyl)propyl chloride, 440183_ALDRICH, (gamma-Chloropropyl)trimethoxysilane, Silane (3-chloropropyl)tris(methoxy)-, EINECS 219-787-9, gamma-Chloropropyltrimethoxysilane, NSC 83878, (3-chloropropyl)(trimethoxy)silane, .delta.-Chloropropyltrimethoxysilane, .gamma.-Chloropropyltrimethoxysilane

Molecular Formula: C6H15ClO3SiMolecular Weight: 198.720000 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: OXYZDRAJMHGSMW-UHFFFAOYSA-N


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