1-(4-Fluorobenzenesulfonyl)pyrrolidine-2-carboxylic acid
TL;DR: 1-(4-Fluorobenzenesulfonyl)pyrrolidine-2-carboxylic acid (CAS 97801-56-4) is a chemical compound with molecular formula C11H12FNO4S and molecular weight 273.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxylic acid
Also Known As: 1-[(4-fluorophenyl)sulfonyl]-2-pyrrolidinecarboxylic acid, 1-(4-Fluoro-benzenesulfonyl)-pyrrolidine-2-carboxylic acid, 1-[(4-Fluorophenyl)sulfonyl]proline, ZERO/006263, 1-(4-fluorobenzenesulfonyl)pyrrolidine-2-carboxylic acid
| Molecular Formula | C11H12FNO4S |
|---|---|
| Molecular Weight | 273.05 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 83.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 273.04712 |
| Heavy Atoms | 18 |
| Complexity | 411.0 |
Chemical Identifiers
| CAS Number | 97801-56-4 |
|---|---|
| SMILES | C1CC(N(C1)S(=O)(=O)C2=CC=C(C=C2)F)C(=O)O |
| InChIKey | ISYUAFVYETYRPO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-(4-Fluorobenzenesulfonyl)pyrrolidine-2-carboxylic acid (CAS 97801-56-4), with molecular formula C11H12FNO4S and molecular weight 273.05 g/mol. IUPAC: 1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxylic acid.
Chemical Property Profile of 1-(4-Fluorobenzenesulfonyl)pyrrolidine-2-carboxylic acid
Property Insights of 1-(4-Fluorobenzenesulfonyl)pyrrolidine-2-carboxylic acid
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(4-Fluorobenzenesulfonyl)pyrrolidine-2-carboxylic acid. The TPSA of 83.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(4-Fluorobenzenesulfonyl)pyrrolidine-2-carboxylic acid. Following Lipinski's Rule of Five, 1-(4-Fluorobenzenesulfonyl)pyrrolidine-2-carboxylic acid has 1 hydrogen bond donor(s) and 6 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-Fluorobenzenesulfonyl)pyrrolidine-2-carboxylic acid?
The CAS number of 1-(4-Fluorobenzenesulfonyl)pyrrolidine-2-carboxylic acid is 97801-56-4.
What is the molecular formula of 1-(4-Fluorobenzenesulfonyl)pyrrolidine-2-carboxylic acid?
The molecular formula of 1-(4-Fluorobenzenesulfonyl)pyrrolidine-2-carboxylic acid is C11H12FNO4S.
What is the molecular weight of 1-(4-Fluorobenzenesulfonyl)pyrrolidine-2-carboxylic acid?
The molecular weight of 1-(4-Fluorobenzenesulfonyl)pyrrolidine-2-carboxylic acid is 273.05 g/mol.
Where can I buy 1-(4-Fluorobenzenesulfonyl)pyrrolidine-2-carboxylic acid?
You can request a quote for 1-(4-Fluorobenzenesulfonyl)pyrrolidine-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-Fluorobenzenesulfonyl)pyrrolidine-2-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-Fluorobenzenesulfonyl)pyrrolidine-2-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.