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• 3-CHLORO-4-FLUORONITROBEBZENE (CAS: 50-30-1)

• 2-Amino-6-Chloropurine

IUPAC Name: 6-chloro-7H-purin-2-amine | CAS Registry Number: 10310-21-1
Synonyms: 6-Chloroguanine, 2-Amino-6-chloropurine, 2-Amino-6-chlorpurine, 6-Chloro-2-aminopurine, Purine, 2-amino-6-chloro-, 1H-Purin-2-amine, 6-chloro-, 6-Chloro-7H-purin-2-ylamine, 109789_ALDRICH, 342300_ALDRICH, EINECS 233-686-7, 6-CHLORO-1H-PURIN-2-AMINE, NSC 29570, AIDS024269, AIDS-024269, NSC29570, SBB003863, ZINC03860888, 1H-Purin-2-amine, 6-chloro- (9CI), LS-126471, C-4110

Molecular Formula:	C₅H₄ClN₅	Molecular Weight:	169.571760 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	5

InChIKey: RYYIULNRIVUMTQ-UHFFFAOYSA-N

• 1-(2-Methoxyphenyl)piperazine

IUPAC Name: 1-(2-methoxyphenyl)piperazine | CAS Registry Number: 35386-24-4
Synonyms: Spectrum_000433, SpecPlus_000789, Lopac-S-008, Spectrum2_001818, Spectrum3_001032, Spectrum4_001166, Spectrum5_001749, 1-(o-Methoxyphenyl)piperazine, Lopac0_001122, Oprea1_660972, Oprea1_668117, 1-(2-Methoxyphenyl)-piperazine, BSPBio_002843, KBioGR_001771, KBioSS_000913, M22601_ALDRICH, DivK1c_006885, SPBio_001835, 65225_FLUKA, KBio1_001829

Molecular Formula:	C₁₁H₁₆N₂O	Molecular Weight:	192.257540 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	3

InChIKey: VNZLQLYBRIOLFZ-UHFFFAOYSA-N

• 3-Chlorosulfonyl-2-thiophene carboxylic acid methyl ester

IUPAC Name: methyl 3-chlorosulfonylthiophene-2-carboxylate | CAS Registry Number: 59337-92-7
Synonyms: 540501_ALDRICH, BB_SC-4634, ALBB-004862, 2-Carbomethoxy-3-thiophenesulfonyl chloride, TL8003784, methyl 3-chlorosulfonylthiophene-2-carboxylate, methyl 3-(chlorosulfonyl)thiophene-2-carboxylate

Molecular Formula:	C₆H₅ClO₄S₂	Molecular Weight:	240.684500 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	4

InChIKey: PJVJBDAUWILEOG-UHFFFAOYSA-N

• (2R,3S/2S,3R)-2-(2,4-difluorophenyl)-3-(5-fluoropyrimidin-4-yl)-1-(1H-1,2,4-triazol- 1-yl)butan-2-ol

IUPAC Name: (2S,3R)-2-(2,4-difluorophenyl)-3-(5-fluoropyrimidin-4-yl)-1-(1,2,4-triazol-1-yl)butan-2-ol | CAS Registry Number: 182230-43-9
Synonyms: ent-Voriconazole, (2S,3R)-2-(2,4-Difluorophenyl)-3-(5-fluoropyrimidin-4-yl)-1-(1H-1,2,4-triazol-1-yl)butan-2-ol, 137234-63-0, 188416-29-7, (2R,3S/2S,3R)-2-(2,4-difluorophenyl)-3-(5-fluoropyrimidin-4-yl)-1-(1H-1,2,4-triazol-1-yl)butan-2-ol, Voriconazole enantiomer, SureCN371715, UNII-1Y58LNV43M, Voriconazole related compound B, Jsp003733, CTK8E9204, MolPort-020-008-171, ZINC00000842, Voriconazole specified impurity D [EP], AK119804, Voriconazole related compound B RS [USP], KB-206599, FT-0631154, FT-0675849, (|AS,|AR)-|A-(2,4-Difluorophenyl)-5-fluoro-|A-methyl-|A-(1H-1,2,4-triazol-1-ylmethyl)-4-pyrimidineethanol

Molecular Formula:	C₁₆H₁₄F₃N₅O	Molecular Weight:	349.310470 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	8

InChIKey: BCEHBSKCWLPMDN-HWPZZCPQSA-N

• 4-N-Propyl Benzoic Acid (CAS: 2438-5-3)

• 1,2-Benzenedimethanesulfonic acid disodium salt

IUPAC Name: disodium;[2-(sulfonatomethyl)phenyl]methanesulfonate | CAS Registry Number: 97187-28-5
Synonyms: AGN-PC-00MXRN, KB-148776, 1,2-benzenedimethanesulfonic acid disodium salt, disodium;[2-(sulfonatomethyl)phenyl]methanesulfonate

Molecular Formula:	C₈H₈Na₂O₆S₂	Molecular Weight:	310.255059 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	6

InChIKey: SCZLTDILCDHJKK-UHFFFAOYSA-L

• 2-Amino-5-Methylthiazole

IUPAC Name: 5-methyl-1,3-thiazol-2-amine | CAS Registry Number: 7305-71-7
Synonyms: 2-Amino-5-methylthiazole, Thiazole, 2-amino-5-methyl-, 2-Thiazolamine, 5-methyl-, 380563_ALDRICH, NSC523150, STK320523, TL8005084, InChI=1/C4H6N2S/c1-3-2-6-4(5)7-3/h2H,1H3,(H2,5,6, 25T

Molecular Formula:	C₄H₆N₂S	Molecular Weight:	114.168840 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	2

InChIKey: GUABFMPMKJGSBQ-UHFFFAOYSA-N

• 2-Amino-5-{4-[2-(5-ethyl-2-pyridyl)ethoxy]benzyl}-4(5H)-thiazolone

IUPAC Name: 2-amino-5-[[4-[2-(5-ethylpyridin-2-yl)ethoxy]phenyl]methyl]-1,3-thiazol-4-one | CAS Registry Number: 105355-26-8
Synonyms: Pioglitazone 2-Imine, 5-[4-[2-(5-Ethyl-2-pyridyl)ethoxy]benzyl]-2-imino-4-thiazolidinone, 5-{4-[2-(5-Ethyl-2-pyridyl)ethoxy]benzyl}-2-imino-4-thiazolidinone, (5-{4-[2-(5-Ethyl-2-pyridyl)ethoxy]benzyl}-2-imino-4-thiazolidone), 5-{4-[2-(5-Ethyl-2-pyridyl)ethoxy]benzyl}-2-amino-4-thiazolidinone, 2-Amino-5-(4-(2-(5-ethylpyridin-2-yl)ethoxy)benzyl)thiazol-4(5H)-one, 2-Amino-5-{4-[2-(5-ethyl-pyridin-2-yl)-ethoxy]-benzyl}-thiazol-4-one, 5-(4-(2-(5-ethylpyridin-2-yl)ethoxy)benzyl)-2-iminothiazolidin-4-one, 2-amino-5-(4-[2-(5-ethyl-2-pyridyl)ethoxy]benzyl)-4(5h)-thiazolone, 2-amino-5-(4-[2-(5-ethyl-pyridin-2-yl)-ethoxy]-benzyl)-thiazol-4-one, 2-amino-5-[4-[2-(5-ethyl-2-pyridyl)ethoxy]benzyl]-4(5h)-thiazolone, 2-amino-5-[4-[2-(5-ethyl-pyridin-2-yl)-ethoxy]-benzyl]-thiazol-4-one, 2-amino-5-((4-(2-(5-ethyl-2-pyridinyl)ethoxy)phenyl)methyl)-4(5h)-thiazolone, 2-Amino-5-[[4-[2-(5-ethyl-2-pyridinyl)ethoxy]phenyl]methyl]-4(5H)-thiazolone, AGN-PC-008ORF, Jsp000506, CTK8B7923, CTK8G5036, MolPort-005-934-881, PIOGLITAZONE IMINO IMPURITY

Molecular Formula:	C₁₉H₂₁N₃O₂S	Molecular Weight:	355.453940 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	4

InChIKey: ABGJULHDDNEULW-UHFFFAOYSA-N

• (3S,4R)-4-(4-Fluorophenyl)-3-hydroxymethyl-1-methylpiperidine

IUPAC Name: [(3S,4R)-4-(4-fluorophenyl)-1-methylpiperidin-1-ium-3-yl]methanol | CAS Registry Number: 105812-81-5
Synonyms: ZINC02529787, CID7016838, TL8000217, (3S,4R)-4-(4'-Fluorophenyl)-3-hydroxymethyl-1-methylpiperidine

Molecular Formula:	C₁₃H₁₉FNO+	Molecular Weight:	224.294463 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	2

InChIKey: CXRHUYYZISIIMT-AAEUAGOBSA-O

• 5-Hydroxymethyl Thiazole

IUPAC Name: 1,3-thiazol-5-ylmethanol | CAS Registry Number: 38585-74-9
Synonyms: 5-Thiazolemethanol, 5-Hydroxymethylthiazole, Ambap2763, ZINC02527712, CID2763216, T2166M500, TL8002812

Molecular Formula:	C₄H₅NOS	Molecular Weight:	115.153600 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	2

InChIKey: WKBQQWDVVHGWDB-UHFFFAOYSA-N

• 2,3-Dimethyl-4-Nitropyridine-N-Oxide

IUPAC Name: 2,3-dimethyl-4-nitro-1-oxidopyridin-1-ium | CAS Registry Number: 37699-43-7
Synonyms: 559849_ALDRICH, 4-Nitro-2,3-lutidine-N-oxide, 2,3-Dimethyl-4-nitropyridine 1-oxide, BRN 1569438, ZINC04831092, 4-Nitro-2,3-dimethylpyridine N-oxide, Pyridine, 2,3-dimethyl-4-nitro-, 1-oxide, LS-131487, ST5408449, TL8002771

Molecular Formula:	C₇H₈N₂O₃	Molecular Weight:	168.150020 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	3

InChIKey: CFMTVTYBZMKULI-UHFFFAOYSA-N

• 2,4,-Dihydro-4-[[4-(4-Hydroxyphenyl)-1-Piperazinyl]-Phenyl]-2-(1-Methyl Propyl)-3H-1,2,4-Triazol-3-One

IUPAC Name: [(2S,4S)-2-(2,4-dichlorophenyl)-2-(1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methyl methanesulfonate | CAS Registry Number: 67914-86-7
Synonyms: EINECS 267-749-5, ZINC02274718, CID1900035, BAS 00665649, cis-2-(2,4-Dichlorophenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-ylmethyl methanesulphonate

Molecular Formula:	C₁₄H₁₅Cl₂N₃O₅S	Molecular Weight:	408.257000 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	8

InChIKey: QIMASXGTWQEFGS-SMDDNHRTSA-N

• 2-Amino-3-(1,2-dihydro-2-oxoquinoline-4-yl)propanoic acid hydrochloride

IUPAC Name: [2-(4-bromophenyl)-2-oxoethyl] (2E,4E)-hexa-2,4-dienoate | CAS Registry Number: 5162-90-3
Synonyms: ZINC02593882

Molecular Formula:	C₁₄H₁₃BrO₃	Molecular Weight:	309.155220 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	3

InChIKey: IQSOPPTZTJSPFM-MQQKCMAXSA-N

• 4-Butyl-4'-cyanobiphenyl

IUPAC Name: 4-(4-butylphenyl)benzonitrile | CAS Registry Number: 52709-83-8
Synonyms: 4-Cyano-4'-butylbiphenyl, 4'-n-Butyl-4-cyanobiphenyl, 4'-Butyl-4-biphenylcarbonitrile, EINECS 258-119-0, SBB008623, ZINC02135314, 4'-Butyl[1,1'-biphenyl]-4-carbonitrile, FR-2338, [1,1'-Biphenyl]-4-carbonitrile, 4'-butyl-, 4'-Butyl(1,1'-biphenyl)-4-carbonitrile, TL8003466, (1,1'-Biphenyl)-4-carbonitrile, 4'-butyl-

Molecular Formula:	C₁₇H₁₇N	Molecular Weight:	235.323580 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	1

InChIKey: PJPLBHHDTUICNN-UHFFFAOYSA-N

• 4-Nitrobenzyl acetoacetate

IUPAC Name: (4-nitrophenyl)methyl 3-oxobutanoate | CAS Registry Number: 61312-84-3
Synonyms: (4-nitrophenyl)methyl 3-oxobutanoate, 4-nitrobenzyl 3-oxobutanoate, p-nitrobenzyl acetoacetate, AG-G-23264, ZINC04290322, ACMC-209mrc, AC1MC3RN, SureCN5765803, KSC493O5D, CTK3J3751, MolPort-000-159-362, Acetoacetic Acid 4-Nitrobenzyl Ester, ANW-33766, SBB065112, (4-Nitrophenyl)methyl-3-oxobutanoate, AKOS015890400, RP03975, RP23317, AK111412, KB-62873

Molecular Formula:	C₁₁H₁₁NO₅	Molecular Weight:	237.208740 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	5

InChIKey: KQPGVCMZXFBYMM-UHFFFAOYSA-N

• 2-(2-Methoxyphenoxy)ethylamine hydrochloride

IUPAC Name: 2-(2-methoxyphenoxy)ethanamine;hydrochloride | CAS Registry Number: 64464-07-9
Synonyms: 2-(2-Methoxyphenoxy)ethylamine Hydrochloride, 2-(2-methoxyphenoxy)ethanamine Hydrochloride, 2-(2-Methoxyphenoxy)Ethylamine HCL, 2-(2-Methoxphenoxyl) Ethylamine HCl, 1-(2-Aminoethoxy)-2-methoxybenzene Hydrochloride, ACMC-1B7JW, AC1MC79N, SureCN1623557, KSC352Q5H, AC1Q3C49, CTK2F2853, MolPort-003-824-575, BB_SC-2768, methoxyphenoxyethanaminehydrochloride, ANW-52068, SBB093198, AKOS005073387, 2-(2-Aminoethoxy)anisole Hydrochloride, AC-1996, AG-A-28932

Molecular Formula:	C₉H₁₄ClNO₂	Molecular Weight:	203.665960 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	3

InChIKey: KNWPXZOMSZABHD-UHFFFAOYSA-N

• 1,3-Bisbenzyl-2-oxoimidazolidine-4,5-dicarboxylic acid

IUPAC Name: 2-oxo-1,3-bis(phenylmethyl)imidazolidine-4,5-dicarboxylic acid | CAS Registry Number: 59564-78-2
Synonyms: 650730_ALDRICH, EINECS 257-308-5, EINECS 261-806-8, 1,3-Dibenzyl-2-oxoimidazolidine-4,5-dicarboxylic acid, cis-1,3-Dibenzyl-2-oxoimidazolidine-4,5-dicarboxylic acid, 51591-75-4

Molecular Formula:	C₁₉H₁₈N₂O₅	Molecular Weight:	354.356620 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	5

InChIKey: QSMUFXXTSUEZJA-UHFFFAOYSA-N

• 2-Isopropyl-4-[(N-methylamino)methyl]thiazole hydrochloride

IUPAC Name: N-methyl-1-(2-propan-2-yl-1,3-thiazol-4-yl)methanamine;hydrochloride | CAS Registry Number: 908591-25-3
Synonyms: 1-(2-Isopropylthiazol-4-yl)-N-methylmethanamine hydrochloride, N-Methyl-2-(1-methylethyl)-4-thiazolemethanamine Hydrochloride, AGN-PC-00CUXX, SureCN6090064, CTK8B7307, MolPort-020-002-365, ANW-56984, N-methyl-1-(2-propan-2-yl-1,3-thiazol-4-yl)methanamine Hydrochloride, AKOS015915056, AK-87630, KB-24756, R875, FT-0652554, ST51054430, A843659, 2-Isopropyl-4(((N-methyl)amino)methyl)thiazole HCl, I14-7536, 1-(2-ISOPROPYLTHIAZOL-4-YL)-N-METHYLMETHANAMINE HCL, 2-Isopropyl-4(((N-methyl)amino)methyl)thiazole hydrochloride, N-methyl-1-(2-propan-2-yl-4-thiazolyl)methanamine hydrochloride

Molecular Formula:	C₈H₁₅ClN₂S	Molecular Weight:	206.736100 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	3

InChIKey: MZHCXYATKCSZHX-UHFFFAOYSA-N

• 4-Trans-N-Amyl-Cyclohexylcyclohexanol

IUPAC Name: 4-(4-pentylcyclohexyl)cyclohexan-1-ol | CAS Registry Number: 82575-70-0
Synonyms: TRANS-4-(TRANS-4-PENTYLCYCLOHEXYL)CYCLOHEXANOL, AG-H-30475, 4-(4-pentylcyclohexyl)cyclohexan-1-ol, AC1MITDN, BAS 01123619, SureCN4657593, SureCN4657594, SureCN8913222, SureCN8913228, KSC494E5H, 4'-Pentyl-bicyclohexyl-4-ol, CTK3J4253, MolPort-001-956-098, ANW-59709, ZINC02023184, AKOS000508279, AKOS015839694, AKOS016003821, AK-40315, KB-261115

Molecular Formula:	C₁₇H₃₂O	Molecular Weight:	252.435380 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	1

InChIKey: LGORKSSOIBSSJH-UHFFFAOYSA-N

• 2-Butyl-4(5)-chloro-5(4)-imidazolecarboxyaldehyde

IUPAC Name: 2-butyl-5-chloro-1H-imidazole-4-carbaldehyde | CAS Registry Number: 83857-96-9
Synonyms: 559881_ALDRICH, BB_SC-4715, ALBB-006040, CID55176, 2-Butyl-4-chloro-5-formylimidazole, ZINC02021507, 2-butyl-4-chloro-1H-imidazole-5-carbaldehyde, ST5408861, 2-BUTYL-5-CHLORO-1H-IMIDAZOLE-4-CARBALDEHYDE, 2-Butyl-5-chloro-1H-imidazole-4-carboxaldehyde, AE-641/15338413

Molecular Formula:	C₈H₁₁ClN₂O	Molecular Weight:	186.638740 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	3

InChIKey: JLVIHQCWASNXCK-UHFFFAOYSA-N

• 2,4-Dichloro-5-fluoropyrimidine

IUPAC Name: 2,4-dichloro-5-fluoropyrimidine | CAS Registry Number: 2927-71-1
Synonyms: NCIOpen2_000539, 653233_ALDRICH, NSC70442, CID250705, ZINC01696262, Pyrimidine, 5-fluoro-2,4-dichloro-, A3960/0168745

Molecular Formula:	C₄HCl₂FN₂	Molecular Weight:	166.968543 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	3

InChIKey: WHPFEQUEHBULBW-UHFFFAOYSA-N

• 4-Hydroxycarbazole

IUPAC Name: 9H-carbazol-4-ol | CAS Registry Number: 54989-33-2
Synonyms: 9H-Carbazol-4-ol, 52602-39-8, 4-Hydroxy carbazole, CCRIS 5300, EINECS 258-034-9, PubChem9190, AC1Q7BAA, ACMC-209l0g, SureCN151982, AC1L2WF0, KSC269K0J, CHEMBL46723, 543896_ALDRICH, UNII-3D95E7727V, CTK1G9504, UEOHATPGKDSULR-UHFFFAOYSA-, CHEBI:168954, MolPort-001-761-056, ANW-31502, AR-1H5650

Molecular Formula:	C₁₂H₉NO	Molecular Weight:	183.205960 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	1

InChIKey: UEOHATPGKDSULR-UHFFFAOYSA-N

• 2-THIOPHENE ETHYLAMINE (CAS: 423-27-0)

• 4-(trans-4-Ethylcyclohexyl) Benzonitrile

IUPAC Name: 4-(4-ethylcyclohexyl)benzonitrile | CAS Registry Number: 73592-81-1
Synonyms: 4-(4-Ethylcyclohexyl)benzonitrile, 72928-54-2, 4-(trans-4-Ethylcyclohexyl)benzonitrile, 4-(Trans-4-Ethylcyclohexyl)-benzonitrile, 1-Cyano-4-(trans-4-ethylcyclohexyl)benzene, trans-4-(4-Ethylcyclohexyl)benzonitrile, trans-4-(4-Ethyl-cyclohexyl)-benzonitrile, ACMC-209oor, Benzonitrile, 4-(trans-4-ethylcyclohexyl)-, SureCN7509180, SureCN7899393, KSC490Q7J, KSC496I9H, AC1L41G5, BBHJTCADCKZYSO-UHFFFAOYSA-, CTK3J6493, p-(4-Ethylcyclohexyl)benzonitrile, 4-trans-ethylcyclohexylcyanobenzene, EINECS 277-084-2, ANW-36265

Molecular Formula:	C₁₅H₁₉N	Molecular Weight:	213.318060 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	1

InChIKey: BBHJTCADCKZYSO-UHFFFAOYSA-N

• (s)-4-Benzyl-2-Oxazolidinone (CAS: 90719-32-9)

• (trans-4-(trans-4-pentylcyclohexyl)cyclohexyl)bromobenzene

IUPAC Name: 1-bromo-4-[4-(4-pentylcyclohexyl)cyclohexyl]benzene | CAS Registry Number: 154755-54-1
Synonyms: SCHEMBL10739510, SCHEMBL10739514, 1-bromo-4-[(trans,trans)-4'-pentyl[1,1'-bicyclohexyl]-4-yl]Benzene

Molecular Formula:	C₂₃H₃₅Br	Molecular Weight:	391.437 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	0

InChIKey: WFQXECMAXWKLPE-UHFFFAOYSA-N