2-Pyrrolidinone, 5-((2-chlorophenyl)methyl)-3,3-dimethyl-
TL;DR: 2-Pyrrolidinone, 5-((2-chlorophenyl)methyl)-3,3-dimethyl- (CAS 97561-99-4) is a chemical compound with molecular formula C13H16ClNO and molecular weight 237.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[(2-chlorophenyl)methyl]-3,3-dimethylpyrrolidin-2-one
Also Known As: SR 41880, 5-((2-Chlorophenyl)methyl)-3,3-dimethyl-2-pyrrolidinone, 2-Pyrrolidinone, 5-((2-chlorophenyl)methyl)-3,3-dimethyl-, 5-[(2-chlorophenyl)methyl]-3,3-dimethylpyrrolidin-2-one, 2-[(2-Chlorophenyl)methyl]-4,4-dimethyl-3,4-dihydro-2H-pyrrol-5-ol
| Molecular Formula | C13H16ClNO |
|---|---|
| Molecular Weight | 237.09 g/mol |
| LogP | 2.7972 |
| Topological Polar Surface Area | 29.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 237.09204 |
| Heavy Atoms | 16 |
| Complexity | 414.14856 |
Chemical Identifiers
| CAS Number | 97561-99-4 |
|---|---|
| SMILES | CC1(CC(NC1=O)CC2=CC=CC=C2Cl)C |
Product Overview
2-Pyrrolidinone, 5-((2-chlorophenyl)methyl)-3,3-dimethyl- (CAS 97561-99-4), with molecular formula C13H16ClNO and molecular weight 237.09 g/mol. IUPAC: 5-[(2-chlorophenyl)methyl]-3,3-dimethylpyrrolidin-2-one.
Chemical Property Profile of 2-Pyrrolidinone, 5-((2-chlorophenyl)methyl)-3,3-dimethyl-
Property Insights of 2-Pyrrolidinone, 5-((2-chlorophenyl)methyl)-3,3-dimethyl-
The XLogP value of 2.7972 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Pyrrolidinone, 5-((2-chlorophenyl)methyl)-3,3-dimethyl-. With a topological polar surface area (TPSA) of 29.1 Ų, 2-Pyrrolidinone, 5-((2-chlorophenyl)methyl)-3,3-dimethyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Pyrrolidinone, 5-((2-chlorophenyl)methyl)-3,3-dimethyl- has 1 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-Pyrrolidinone, 5-((2-chlorophenyl)methyl)-3,3-dimethyl-?
The CAS number of 2-Pyrrolidinone, 5-((2-chlorophenyl)methyl)-3,3-dimethyl- is 97561-99-4.
What is the molecular formula of 2-Pyrrolidinone, 5-((2-chlorophenyl)methyl)-3,3-dimethyl-?
The molecular formula of 2-Pyrrolidinone, 5-((2-chlorophenyl)methyl)-3,3-dimethyl- is C13H16ClNO.
What is the molecular weight of 2-Pyrrolidinone, 5-((2-chlorophenyl)methyl)-3,3-dimethyl-?
The molecular weight of 2-Pyrrolidinone, 5-((2-chlorophenyl)methyl)-3,3-dimethyl- is 237.09 g/mol.
Where can I buy 2-Pyrrolidinone, 5-((2-chlorophenyl)methyl)-3,3-dimethyl-?
You can request a quote for 2-Pyrrolidinone, 5-((2-chlorophenyl)methyl)-3,3-dimethyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Pyrrolidinone, 5-((2-chlorophenyl)methyl)-3,3-dimethyl-?
Yes, KEHONG BIO provides custom synthesis services for 2-Pyrrolidinone, 5-((2-chlorophenyl)methyl)-3,3-dimethyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.