Shanghai Stepuppharm

CAS 1038924-61-6

Chemistry, 2 End Use API, 26 Related Intermediates

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Also known as: 1038924-61-6, (s)-5-([1,1'-biphenyl]-4-ylmethyl)pyrrolidin-2-one, (s)-5-((biphenyl-4-yl)methyl)pyrrolidin-2-one, Schembl597775, Bcp12555, Mfcd26401537

Molecular Formula

C₁₇H₁₇NO

Molecular Weight

251.32 g/mol

InChI Key

SOBIWLIICMUXJK-INIZCTEOSA-N

1 2D Structure

CAS 1038924-61-6

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

(5S)-5-[(4-phenylphenyl)methyl]pyrrolidin-2-one

2.1.2 InChI

InChI=1S/C17H17NO/c19-17-11-10-16(18-17)12-13-6-8-15(9-7-13)14-4-2-1-3-5-14/h1-9,16H,10-12H2,(H,18,19)/t16-/m0/s1

2.1.3 InChI Key

SOBIWLIICMUXJK-INIZCTEOSA-N

2.1.4 Canonical SMILES

C1CC(=O)NC1CC2=CC=C(C=C2)C3=CC=CC=C3

2.1.5 Isomeric SMILES

C1CC(=O)N[C@@H]1CC2=CC=C(C=C2)C3=CC=CC=C3

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 1038924-61-6

2. (s)-5-([1,1'-biphenyl]-4-ylmethyl)pyrrolidin-2-one

3. (s)-5-((biphenyl-4-yl)methyl)pyrrolidin-2-one

4. Schembl597775

5. Bcp12555

6. Mfcd26401537

7. Zinc114182819

8. Ac-30894

9. (s)-5-biphenyl-4-ylmethylpyrrolidin-2-one

10. A854794

2.3 Create Date

2012-08-19

3 Chemical and Physical Properties

Molecular Formula	C₁₇H₁₇NO
Molecular Weight	251.32 g/mol
XLogP3	3.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	3
Exact Mass	251.131014166 g/mol
Monoisotopic Mass	251.131014166 g/mol
Topological Polar Surface Area	29.1 Å²
Heavy Atom Count	19
Formal Charge	0
Complexity	300
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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CAS Number

149690-12-0

End Use API

Shanghai Stepuppharm has a strong technical development troop and most of our technological backbone are ...

Shanghai Stepuppharm has a strong technical development troop and most of our technological backbone are Senior R&D persons and have more than 10 years experience in the Drug R&D field. Our core competitiveness is the Process development and optimization including Route design, process optimization to industrial production,of the API and their intermediate product. According to customer demand, we are able to offer the professional and integrated service of the drug process de

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