1-(3-Chloro-4-fluorobenzenesulfonyl)piperidine-4-carboxylic acid
TL;DR: 1-(3-Chloro-4-fluorobenzenesulfonyl)piperidine-4-carboxylic acid (CAS 869472-74-2) is a chemical compound with molecular formula C12H13ClFNO4S and molecular weight 321.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(3-chloro-4-fluorophenyl)sulfonylpiperidine-4-carboxylic acid
Also Known As: 1-(3-chloro-4-fluorobenzenesulfonyl)piperidine-4-carboxylic acid, 1-[(3-chloro-4-fluorophenyl)sulfonyl]piperidine-4-carboxylic acid, 1-((3-Chloro-4-fluorophenyl)sulfonyl)piperidine-4-carboxylic acid, 1-(3-chloro-4-fluorophenyl)sulfonylpiperidine-4-carboxylic acid, 1-(3-chloro-4-fluoro-phenyl)sulfonylpiperidine-4-carboxylic Acid
| Molecular Formula | C12H13ClFNO4S |
|---|---|
| Molecular Weight | 321.02 g/mol |
| LogP | 1.9644 |
| Topological Polar Surface Area | 74.68 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 321.02377 |
| Heavy Atoms | 20 |
| Complexity | 626.34454 |
Chemical Identifiers
| CAS Number | 869472-74-2 |
|---|---|
| SMILES | C1CN(CCC1C(=O)O)S(=O)(=O)C2=CC(=C(C=C2)F)Cl |
Product Overview
1-(3-Chloro-4-fluorobenzenesulfonyl)piperidine-4-carboxylic acid (CAS 869472-74-2), with molecular formula C12H13ClFNO4S and molecular weight 321.02 g/mol. IUPAC: 1-(3-chloro-4-fluorophenyl)sulfonylpiperidine-4-carboxylic acid.
Chemical Property Profile of 1-(3-Chloro-4-fluorobenzenesulfonyl)piperidine-4-carboxylic acid
Property Insights of 1-(3-Chloro-4-fluorobenzenesulfonyl)piperidine-4-carboxylic acid
The XLogP value of 1.9644 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(3-Chloro-4-fluorobenzenesulfonyl)piperidine-4-carboxylic acid. The TPSA of 74.68 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(3-Chloro-4-fluorobenzenesulfonyl)piperidine-4-carboxylic acid. Following Lipinski's Rule of Five, 1-(3-Chloro-4-fluorobenzenesulfonyl)piperidine-4-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-(3-Chloro-4-fluorobenzenesulfonyl)piperidine-4-carboxylic acid?
The CAS number of 1-(3-Chloro-4-fluorobenzenesulfonyl)piperidine-4-carboxylic acid is 869472-74-2.
What is the molecular formula of 1-(3-Chloro-4-fluorobenzenesulfonyl)piperidine-4-carboxylic acid?
The molecular formula of 1-(3-Chloro-4-fluorobenzenesulfonyl)piperidine-4-carboxylic acid is C12H13ClFNO4S.
What is the molecular weight of 1-(3-Chloro-4-fluorobenzenesulfonyl)piperidine-4-carboxylic acid?
The molecular weight of 1-(3-Chloro-4-fluorobenzenesulfonyl)piperidine-4-carboxylic acid is 321.02 g/mol.
Where can I buy 1-(3-Chloro-4-fluorobenzenesulfonyl)piperidine-4-carboxylic acid?
You can request a quote for 1-(3-Chloro-4-fluorobenzenesulfonyl)piperidine-4-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-(3-Chloro-4-fluorobenzenesulfonyl)piperidine-4-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 1-(3-Chloro-4-fluorobenzenesulfonyl)piperidine-4-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.