Ningbo Chemgoo Pharma Tech

CAS 1160293-24-2

Chemistry, 1 End Use API, 15 Related Intermediates

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Also known as: 1160293-24-2, Zinc85577606, Methyl 1-(2-chloroacetyl)-3-(methoxy(phenyl)methylene)-2-oxoindoline-6-carboxylate, Methyl1-(2-chloroacetyl)-3-(methoxy(phenyl)methylene)-2-oxoindoline-6-carboxylate, 1-(2-chloro-acetyl)-3-(methoxy-phenyl-methylene)-2-oxo-2,3-dihydro-1h-indole-6-carboxylic acid methyl ester

Molecular Formula

C₂₀H₁₆ClNO₅

Molecular Weight

385.8 g/mol

InChI Key

SGESEGRPYLHYDV-ZCXUNETKSA-N

1 2D Structure

CAS 1160293-24-2

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

methyl (3Z)-1-(2-chloroacetyl)-3-[methoxy(phenyl)methylidene]-2-oxoindole-6-carboxylate

2.1.2 InChI

InChI=1S/C20H16ClNO5/c1-26-18(12-6-4-3-5-7-12)17-14-9-8-13(20(25)27-2)10-15(14)22(19(17)24)16(23)11-21/h3-10H,11H2,1-2H3/b18-17-

2.1.3 InChI Key

SGESEGRPYLHYDV-ZCXUNETKSA-N

2.1.4 Canonical SMILES

COC(=C1C2=C(C=C(C=C2)C(=O)OC)N(C1=O)C(=O)CCl)C3=CC=CC=C3

2.1.5 Isomeric SMILES

CO/C(=C\1/C2=C(C=C(C=C2)C(=O)OC)N(C1=O)C(=O)CCl)/C3=CC=CC=C3

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 1160293-24-2

2. Zinc85577606

3. Methyl 1-(2-chloroacetyl)-3-(methoxy(phenyl)methylene)-2-oxoindoline-6-carboxylate

4. Methyl1-(2-chloroacetyl)-3-(methoxy(phenyl)methylene)-2-oxoindoline-6-carboxylate

5. 1-(2-chloro-acetyl)-3-(methoxy-phenyl-methylene)-2-oxo-2,3-dihydro-1h-indole-6-carboxylic Acid Methyl Ester

2.3 Create Date

2015-03-31

3 Chemical and Physical Properties

Molecular Formula	C₂₀H₁₆ClNO₅
Molecular Weight	385.8 g/mol
XLogP3	3.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	5
Exact Mass	385.0717003 g/mol
Monoisotopic Mass	385.0717003 g/mol
Topological Polar Surface Area	72.9 Å²
Heavy Atom Count	27
Formal Charge	0
Complexity	640
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

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CAS Number

262368-30-9

End Use API

Nintedanib Esylate

About the Company

Ningbo Chemgoo is a R&D-driven company with core technology of organic chemistry, dedicating in technolog...

Ningbo Chemgoo is a R&D-driven company with core technology of organic chemistry, dedicating in technology development and industrialization. We provide intermediates from gram scale to hundreds of Kg to domestic and abroad customers in pharmaceutical area. The R&D center occupies around 3,000m2, equipped with gram scale labs, pilot labs, analysis center, safety assessment lab and platform for flow chemistry. The company has successfully developed more than 60 projects. The main products of Telmisartan intermediates widely win good reputation in markets.

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