1-(5-Chloro-2-methylphenyl)-5-oxopyrrolidine-3-carboxylic acid
TL;DR: 1-(5-Chloro-2-methylphenyl)-5-oxopyrrolidine-3-carboxylic acid (CAS 63675-00-3) is a chemical compound with molecular formula C12H12ClNO3 and molecular weight 253.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(5-chloro-2-methylphenyl)-5-oxopyrrolidine-3-carboxylic acid
Also Known As: 1-(5-chloro-2-methylphenyl)-5-oxopyrrolidine-3-carboxylic acid, BAS 00447854, 3-Pyrrolidinecarboxylic acid, 1-(5-chloro-2-methylphenyl)-5-oxo-, 1-(5-Chloro-2-methyl-phenyl)-5-oxo-pyrrolidine-3-carboxylic acid, 1-(5-CHLORO-2-METHYLPHENYL)-5-OXO-3-PYRROLIDINECARBOXYLIC ACID
| Molecular Formula | C12H12ClNO3 |
|---|---|
| Molecular Weight | 253.05 g/mol |
| LogP | 2.08592 |
| Topological Polar Surface Area | 57.61 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 253.05057 |
| Heavy Atoms | 17 |
| Complexity | 486.63913 |
Chemical Identifiers
| CAS Number | 63675-00-3 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)Cl)N2CC(CC2=O)C(=O)O |
Product Overview
1-(5-Chloro-2-methylphenyl)-5-oxopyrrolidine-3-carboxylic acid (CAS 63675-00-3), with molecular formula C12H12ClNO3 and molecular weight 253.05 g/mol. IUPAC: 1-(5-chloro-2-methylphenyl)-5-oxopyrrolidine-3-carboxylic acid.
Chemical Property Profile of 1-(5-Chloro-2-methylphenyl)-5-oxopyrrolidine-3-carboxylic acid
Property Insights of 1-(5-Chloro-2-methylphenyl)-5-oxopyrrolidine-3-carboxylic acid
The XLogP value of 2.08592 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(5-Chloro-2-methylphenyl)-5-oxopyrrolidine-3-carboxylic acid. With a topological polar surface area (TPSA) of 57.61 Ų, 1-(5-Chloro-2-methylphenyl)-5-oxopyrrolidine-3-carboxylic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(5-Chloro-2-methylphenyl)-5-oxopyrrolidine-3-carboxylic acid has 1 hydrogen bond donor(s) and 2 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 1-(5-Chloro-2-methylphenyl)-5-oxopyrrolidine-3-carboxylic acid?
The CAS number of 1-(5-Chloro-2-methylphenyl)-5-oxopyrrolidine-3-carboxylic acid is 63675-00-3.
What is the molecular formula of 1-(5-Chloro-2-methylphenyl)-5-oxopyrrolidine-3-carboxylic acid?
The molecular formula of 1-(5-Chloro-2-methylphenyl)-5-oxopyrrolidine-3-carboxylic acid is C12H12ClNO3.
What is the molecular weight of 1-(5-Chloro-2-methylphenyl)-5-oxopyrrolidine-3-carboxylic acid?
The molecular weight of 1-(5-Chloro-2-methylphenyl)-5-oxopyrrolidine-3-carboxylic acid is 253.05 g/mol.
Where can I buy 1-(5-Chloro-2-methylphenyl)-5-oxopyrrolidine-3-carboxylic acid?
You can request a quote for 1-(5-Chloro-2-methylphenyl)-5-oxopyrrolidine-3-carboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(5-Chloro-2-methylphenyl)-5-oxopyrrolidine-3-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 1-(5-Chloro-2-methylphenyl)-5-oxopyrrolidine-3-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.