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CAS 1455358-16-3

CAS 1455358-16-3

Chemistry, 1 End Use API, 11 Related Intermediates

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CAS 1455358-16-3

Also known as: 1455358-16-3, (6s)-1'-tert-butyl-2'-oxospiro[5,7-dihydrocyclopenta[b]pyridine-6,3'-pyrrolo[2,3-b]pyridine]-3-carboxylic acid, Starbld0048648, Schembl15280575, Sncfrkkjqvcwmn-ibgzpjmesa-n, (6s)-1'-tert-butyl-2'-oxo-1',2',5,7-tetrahydrospiro[cyclopenta[b]pyridine-6,3'-pyrrolo[2,3-b]pyridine]-3-carboxylic acid

Molecular Formula

C₁₉H₁₉N₃O₃

Molecular Weight

337.4 g/mol

InChI Key

SNCFRKKJQVCWMN-IBGZPJMESA-N

1 2D Structure

CAS 1455358-16-3

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

(6S)-1'-tert-butyl-2'-oxospiro[5,7-dihydrocyclopenta[b]pyridine-6,3'-pyrrolo[2,3-b]pyridine]-3-carboxylic acid

2.1.2 InChI

InChI=1S/C19H19N3O3/c1-18(2,3)22-15-13(5-4-6-20-15)19(17(22)25)8-11-7-12(16(23)24)10-21-14(11)9-19/h4-7,10H,8-9H2,1-3H3,(H,23,24)/t19-/m0/s1

2.1.3 InChI Key

SNCFRKKJQVCWMN-IBGZPJMESA-N

2.1.4 Canonical SMILES

CC(C)(C)N1C2=C(C=CC=N2)C3(C1=O)CC4=C(C3)N=CC(=C4)C(=O)O

2.1.5 Isomeric SMILES

CC(C)(C)N1C2=C(C=CC=N2)[C@]3(C1=O)CC4=C(C3)N=CC(=C4)C(=O)O

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 1455358-16-3

2. (6s)-1'-tert-butyl-2'-oxospiro[5,7-dihydrocyclopenta[b]pyridine-6,3'-pyrrolo[2,3-b]pyridine]-3-carboxylic Acid

3. Starbld0048648

4. Schembl15280575

5. Sncfrkkjqvcwmn-ibgzpjmesa-n

6. (6s)-1'-tert-butyl-2'-oxo-1',2',5,7-tetrahydrospiro[cyclopenta[b]pyridine-6,3'-pyrrolo[2,3-b]pyridine]-3-carboxylic Acid

2.3 Create Date

2015-02-13

3 Chemical and Physical Properties

Molecular Formula	C₁₉H₁₉N₃O₃
Molecular Weight	337.4 g/mol
XLogP3	1.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	2
Exact Mass	g/mol
Monoisotopic Mass	g/mol
Topological Polar Surface Area	83.4
Heavy Atom Count	25
Formal Charge	0
Complexity	587
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

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(6S)-2'-oxo-1',2',5,7- tetrahydrospiro[cyclopenta[b]pyr...

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CAS Number

1455358-16-3

End Use API

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About the Company

Porton Pharma Solutions Ltd. was founded in 2005, & the company's stock was successfully listed in Shenzh...

Porton Pharma Solutions Ltd. was founded in 2005, & the company's stock was successfully listed in Shenzhen Stock Exchange in 2014. Our R&D, manufacturing & operation facilities are located in China, Slovenia, the US, Belgium, Switzerland, Denmark, with more than 6000 employees worldwide. Porton leads the way with its excellent CDMO services, but also supplies APIs & intermediates for the treatment of critical diseases such as HIV/AIDS, diabetes, cancer, & influenza. Our Process Technology Centers & WHO/USFDA/EMA/PDMA/NMPA-inspected Facilities feature state-of-the-art equipment, highly flexible cGMP-compliant production assets.

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