![1-[2-Chloro-5-(trifluoromethyl)benzenesulfonyl]piperidine-4-carboxylic acid structure](/static/products/7277/727718-06-1.webp)
1-[2-Chloro-5-(trifluoromethyl)benzenesulfonyl]piperidine-4-carboxylic acid
TL;DR: 1-[2-Chloro-5-(trifluoromethyl)benzenesulfonyl]piperidine-4-carboxylic acid (CAS 727718-06-1) is a chemical compound with molecular formula C13H13ClF3NO4S and molecular weight 371.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[2-chloro-5-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxylic acid
Also Known As: 1-[2-chloro-5-(trifluoromethyl)benzenesulfonyl]piperidine-4-carboxylic acid, 1-[2-chloro-5-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxylic Acid, 1-{[2-chloro-5-(trifluoromethyl)phenyl]sulfonyl}piperidine-4-carboxylic acid, 1-[2-chloro-5-(trifluoromethyl)benzenesulfonyl]piperidine-4-carboxylicacid, 1-((2-CHLORO-5-(TRIFLUOROMETHYL)PHENYL)SULFONYL)PIPERIDINE-4-CARBOXYLIC ACID
| Molecular Formula | C13H13ClF3NO4S |
|---|---|
| Molecular Weight | 371.02 g/mol |
| LogP | 2.8441 |
| Topological Polar Surface Area | 74.68 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 371.0206 |
| Heavy Atoms | 23 |
| Complexity | 712.4201 |
Chemical Identifiers
| CAS Number | 727718-06-1 |
|---|---|
| SMILES | C1CN(CCC1C(=O)O)S(=O)(=O)C2=C(C=CC(=C2)C(F)(F)F)Cl |
Product Overview
1-[2-Chloro-5-(trifluoromethyl)benzenesulfonyl]piperidine-4-carboxylic acid (CAS 727718-06-1), with molecular formula C13H13ClF3NO4S and molecular weight 371.02 g/mol. IUPAC: 1-[2-chloro-5-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxylic acid.
Chemical Property Profile of 1-[2-Chloro-5-(trifluoromethyl)benzenesulfonyl]piperidine-4-carboxylic acid
Property Insights of 1-[2-Chloro-5-(trifluoromethyl)benzenesulfonyl]piperidine-4-carboxylic acid
The XLogP value of 2.8441 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-[2-Chloro-5-(trifluoromethyl)benzenesulfonyl]piperidine-4-carboxylic acid. The TPSA of 74.68 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-[2-Chloro-5-(trifluoromethyl)benzenesulfonyl]piperidine-4-carboxylic acid. Following Lipinski's Rule of Five, 1-[2-Chloro-5-(trifluoromethyl)benzenesulfonyl]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-[2-Chloro-5-(trifluoromethyl)benzenesulfonyl]piperidine-4-carboxylic acid?
The CAS number of 1-[2-Chloro-5-(trifluoromethyl)benzenesulfonyl]piperidine-4-carboxylic acid is 727718-06-1.
What is the molecular formula of 1-[2-Chloro-5-(trifluoromethyl)benzenesulfonyl]piperidine-4-carboxylic acid?
The molecular formula of 1-[2-Chloro-5-(trifluoromethyl)benzenesulfonyl]piperidine-4-carboxylic acid is C13H13ClF3NO4S.
What is the molecular weight of 1-[2-Chloro-5-(trifluoromethyl)benzenesulfonyl]piperidine-4-carboxylic acid?
The molecular weight of 1-[2-Chloro-5-(trifluoromethyl)benzenesulfonyl]piperidine-4-carboxylic acid is 371.02 g/mol.
Where can I buy 1-[2-Chloro-5-(trifluoromethyl)benzenesulfonyl]piperidine-4-carboxylic acid?
You can request a quote for 1-[2-Chloro-5-(trifluoromethyl)benzenesulfonyl]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-[2-Chloro-5-(trifluoromethyl)benzenesulfonyl]piperidine-4-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 1-[2-Chloro-5-(trifluoromethyl)benzenesulfonyl]piperidine-4-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.