![1-[(4-Chlorophenyl)methyl]-5-oxopyrrolidine-2-carboxylic acid structure](/static/products/1164/116404-24-1.webp)
1-[(4-Chlorophenyl)methyl]-5-oxopyrrolidine-2-carboxylic acid
TL;DR: 1-[(4-Chlorophenyl)methyl]-5-oxopyrrolidine-2-carboxylic acid (CAS 116404-24-1) 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-[(4-chlorophenyl)methyl]-5-oxopyrrolidine-2-carboxylic acid
Also Known As: 1-(4-chlorobenzyl)-5-oxoproline, 1-[(4-chlorophenyl)methyl]-5-oxopyrrolidine-2-carboxylic acid, J1.826.198G, Acide N-(p-chlorobenzyl)pyroglutamique [French], 1-(4-Chlorobenzyl)-5-oxopyrrolidine-2-carboxylic acid
| Molecular Formula | C12H12ClNO3 |
|---|---|
| Molecular Weight | 253.05 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 57.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 253.05057 |
| Heavy Atoms | 17 |
| Complexity | 313.0 |
Chemical Identifiers
| CAS Number | 116404-24-1 |
|---|---|
| SMILES | C1CC(=O)N(C1C(=O)O)CC2=CC=C(C=C2)Cl |
| InChIKey | BCZYCMUPDFSLAA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-[(4-Chlorophenyl)methyl]-5-oxopyrrolidine-2-carboxylic acid (CAS 116404-24-1), with molecular formula C12H12ClNO3 and molecular weight 253.05 g/mol. IUPAC: 1-[(4-chlorophenyl)methyl]-5-oxopyrrolidine-2-carboxylic acid.
Chemical Property Profile of 1-[(4-Chlorophenyl)methyl]-5-oxopyrrolidine-2-carboxylic acid
Property Insights of 1-[(4-Chlorophenyl)methyl]-5-oxopyrrolidine-2-carboxylic acid
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-[(4-Chlorophenyl)methyl]-5-oxopyrrolidine-2-carboxylic acid. With a topological polar surface area (TPSA) of 57.6 Ų, 1-[(4-Chlorophenyl)methyl]-5-oxopyrrolidine-2-carboxylic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-[(4-Chlorophenyl)methyl]-5-oxopyrrolidine-2-carboxylic acid has 1 hydrogen bond donor(s) and 3 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-[(4-Chlorophenyl)methyl]-5-oxopyrrolidine-2-carboxylic acid?
The CAS number of 1-[(4-Chlorophenyl)methyl]-5-oxopyrrolidine-2-carboxylic acid is 116404-24-1.
What is the molecular formula of 1-[(4-Chlorophenyl)methyl]-5-oxopyrrolidine-2-carboxylic acid?
The molecular formula of 1-[(4-Chlorophenyl)methyl]-5-oxopyrrolidine-2-carboxylic acid is C12H12ClNO3.
What is the molecular weight of 1-[(4-Chlorophenyl)methyl]-5-oxopyrrolidine-2-carboxylic acid?
The molecular weight of 1-[(4-Chlorophenyl)methyl]-5-oxopyrrolidine-2-carboxylic acid is 253.05 g/mol.
Where can I buy 1-[(4-Chlorophenyl)methyl]-5-oxopyrrolidine-2-carboxylic acid?
You can request a quote for 1-[(4-Chlorophenyl)methyl]-5-oxopyrrolidine-2-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-[(4-Chlorophenyl)methyl]-5-oxopyrrolidine-2-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 1-[(4-Chlorophenyl)methyl]-5-oxopyrrolidine-2-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.