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Also known as: 1190363-46-2, 1397526-07-6, 5h-cyclohepta[b]pyridin-5-one, 6-(2,3-difluorophenyl)-6,7,8,9-tetrahydro-9-[[tris(1-methylethyl)silyl]oxy]-, (6r,9r)-, Schembl15674591, 6-(2,3-difluorophenyl)-9-tri(propan-2-yl)silyloxy-6,7,8,9-tetrahydrocyclohepta[b]pyridin-5-one
Molecular Formula
C25H33F2NO2Si
Molecular Weight
445.6  g/mol
InChI Key
AIVVBBARCYSYDU-UHFFFAOYSA-N

CAS 1190363-46-2
1 2D Structure

CAS 1190363-46-2

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
6-(2,3-difluorophenyl)-9-tri(propan-2-yl)silyloxy-6,7,8,9-tetrahydrocyclohepta[b]pyridin-5-one
2.1.2 InChI
InChI=1S/C25H33F2NO2Si/c1-15(2)31(16(3)4,17(5)6)30-22-13-12-19(18-9-7-11-21(26)23(18)27)25(29)20-10-8-14-28-24(20)22/h7-11,14-17,19,22H,12-13H2,1-6H3
2.1.3 InChI Key
AIVVBBARCYSYDU-UHFFFAOYSA-N
2.1.4 Canonical SMILES
CC(C)[Si](C(C)C)(C(C)C)OC1CCC(C(=O)C2=C1N=CC=C2)C3=C(C(=CC=C3)F)F
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 1190363-46-2

2. 1397526-07-6

3. 5h-cyclohepta[b]pyridin-5-one, 6-(2,3-difluorophenyl)-6,7,8,9-tetrahydro-9-[[tris(1-methylethyl)silyl]oxy]-, (6r,9r)-

4. Schembl15674591

5. 6-(2,3-difluorophenyl)-9-tri(propan-2-yl)silyloxy-6,7,8,9-tetrahydrocyclohepta[b]pyridin-5-one

2.3 Create Date
2014-08-04
3 Chemical and Physical Properties
Molecular Weight 445.6 g/mol
Molecular Formula C25H33F2NO2Si
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count6
Exact Mass445.22486215 g/mol
Monoisotopic Mass445.22486215 g/mol
Topological Polar Surface Area39.2 Ų
Heavy Atom Count31
Formal Charge0
Complexity593
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count2
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1

BUILDING BLOCK

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Virtual BoothJinan Tantu Chemicals offers customized R&D services & production of small molecule APIs & pharmaceutical intermediates.

(6S,9R)-6-(2,3-Difluorophenyl)-6,7,8,9-tetrahydro-...

CAS Number : 1190363-46-2

End Use API :

About the Company : Jinan Tantu Chemicals Co., Ltd. operates as a Contract Development and Manufacturing Organization (CDMO) that serves pharmaceutical companies worldwide. Our core services include custom...

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(6S,9R)-6-(2,3-Difluorophenyl)-6,7,8,9-tetrahydro-...

CAS Number : CAS-1190363-46-2

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About the Company : Hebi Xinhe Pharmaceutical Co., Ltd. is a subsidiary of Tianjin Zhennuo Pharmaceutical Group Co., Ltd., with a registered capital of CNY 100 million. Located in Jijiashan Industrial Park...

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(6S,9R)-6-(2,3-Difluorophenyl)-6,7,8,9-tetrahydro-...

CAS Number : 1190363-46-2

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About the Company : We are one of the well-known manufacturers of key APIs & intermediates in China, with 20 years of experience & presence in 20+ countries. At Boyuan, we are committed to providing high-q...

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5H-Cyclohepta[b]pyridin-5-one, 6-(2,3- difluorophe...

CAS Number : 1190363-46-2

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About the Company : Suzhou Biosyntech is an R&D driven supplier for the Pharma market, the major business is on API and intermediates. Biosyntech has the ability to provide service from R&D development to ...

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