1-(4-Chlorophenyl)-5-oxopyrrolidine-3-carboxylic acid
TL;DR: 1-(4-Chlorophenyl)-5-oxopyrrolidine-3-carboxylic acid (CAS 5414-74-4) is a chemical compound with molecular formula C11H10ClNO3 and molecular weight 239.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-chlorophenyl)-5-oxopyrrolidine-3-carboxylic acid
Also Known As: 1-(4-chlorophenyl)-5-oxopyrrolidine-3-carboxylic acid, 1-(4-Chloro-phenyl)-5-oxo-pyrrolidine-3-carboxylic acid, 1-(4-Chlorophenyl)-5-oxo-3-pyrrolidinecarboxylic acid, (R)-1-PHENYLETHYLHYDROXYLAMINE, 3-Pyrrolidinecarboxylic acid, 1-(4-chlorophenyl)-5-oxo-
| Molecular Formula | C11H10ClNO3 |
|---|---|
| Molecular Weight | 239.03 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 57.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 239.03493 |
| Heavy Atoms | 16 |
| Complexity | 300.0 |
Chemical Identifiers
| CAS Number | 5414-74-4 |
|---|---|
| SMILES | C1C(CN(C1=O)C2=CC=C(C=C2)Cl)C(=O)O |
| InChIKey | QPYOMMCYFFZXIT-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-(4-Chlorophenyl)-5-oxopyrrolidine-3-carboxylic acid (CAS 5414-74-4), with molecular formula C11H10ClNO3 and molecular weight 239.03 g/mol. IUPAC: 1-(4-chlorophenyl)-5-oxopyrrolidine-3-carboxylic acid.
Chemical Property Profile of 1-(4-Chlorophenyl)-5-oxopyrrolidine-3-carboxylic acid
Property Insights of 1-(4-Chlorophenyl)-5-oxopyrrolidine-3-carboxylic acid
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(4-Chlorophenyl)-5-oxopyrrolidine-3-carboxylic acid. With a topological polar surface area (TPSA) of 57.6 Ų, 1-(4-Chlorophenyl)-5-oxopyrrolidine-3-carboxylic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(4-Chlorophenyl)-5-oxopyrrolidine-3-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)-5-oxopyrrolidine-3-carboxylic acid?
The CAS number of 1-(4-Chlorophenyl)-5-oxopyrrolidine-3-carboxylic acid is 5414-74-4.
What is the molecular formula of 1-(4-Chlorophenyl)-5-oxopyrrolidine-3-carboxylic acid?
The molecular formula of 1-(4-Chlorophenyl)-5-oxopyrrolidine-3-carboxylic acid is C11H10ClNO3.
What is the molecular weight of 1-(4-Chlorophenyl)-5-oxopyrrolidine-3-carboxylic acid?
The molecular weight of 1-(4-Chlorophenyl)-5-oxopyrrolidine-3-carboxylic acid is 239.03 g/mol.
Where can I buy 1-(4-Chlorophenyl)-5-oxopyrrolidine-3-carboxylic acid?
You can request a quote for 1-(4-Chlorophenyl)-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-(4-Chlorophenyl)-5-oxopyrrolidine-3-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-Chlorophenyl)-5-oxopyrrolidine-3-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.