4-Chloro-3-((4-(4-fluorophenyl)piperazin-1-yl)sulfonyl)benzoic acid
TL;DR: 4-Chloro-3-((4-(4-fluorophenyl)piperazin-1-yl)sulfonyl)benzoic acid (CAS 438029-19-7) is a chemical compound with molecular formula C17H16ClFN2O4S and molecular weight 398.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-chloro-3-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylbenzoic acid
Also Known As: 4-chloro-3-{[4-(4-fluorophenyl)piperazin-1-yl]sulfonyl}benzoic acid, 4-Chloro-3-[4-(4-fluoro-phenyl)-piperazine-1-sulfonyl]-benzoic acid, 4-chloro-3-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylbenzoic acid, 4-chloro-3-[4-(4-fluorophenyl)piperazin-1-yl]sulfonyl-benzoic Acid, 4-chloro-3-[4-(4-fluorophenyl)piperazine-1-sulfonyl]benzoic acid
| Molecular Formula | C17H16ClFN2O4S |
|---|---|
| Molecular Weight | 398.05 g/mol |
| LogP | 2.6882 |
| Topological Polar Surface Area | 77.92 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 398.05032 |
| Heavy Atoms | 26 |
| Complexity | 926.2791 |
Chemical Identifiers
| CAS Number | 438029-19-7 |
|---|---|
| SMILES | C1CN(CCN1C2=CC=C(C=C2)F)S(=O)(=O)C3=C(C=CC(=C3)C(=O)O)Cl |
Product Overview
4-Chloro-3-((4-(4-fluorophenyl)piperazin-1-yl)sulfonyl)benzoic acid (CAS 438029-19-7), with molecular formula C17H16ClFN2O4S and molecular weight 398.05 g/mol. IUPAC: 4-chloro-3-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylbenzoic acid.
Chemical Property Profile of 4-Chloro-3-((4-(4-fluorophenyl)piperazin-1-yl)sulfonyl)benzoic acid
Property Insights of 4-Chloro-3-((4-(4-fluorophenyl)piperazin-1-yl)sulfonyl)benzoic acid
The XLogP value of 2.6882 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Chloro-3-((4-(4-fluorophenyl)piperazin-1-yl)sulfonyl)benzoic acid. The TPSA of 77.92 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Chloro-3-((4-(4-fluorophenyl)piperazin-1-yl)sulfonyl)benzoic acid. Following Lipinski's Rule of Five, 4-Chloro-3-((4-(4-fluorophenyl)piperazin-1-yl)sulfonyl)benzoic acid has 1 hydrogen bond donor(s) and 4 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 4-Chloro-3-((4-(4-fluorophenyl)piperazin-1-yl)sulfonyl)benzoic acid?
The CAS number of 4-Chloro-3-((4-(4-fluorophenyl)piperazin-1-yl)sulfonyl)benzoic acid is 438029-19-7.
What is the molecular formula of 4-Chloro-3-((4-(4-fluorophenyl)piperazin-1-yl)sulfonyl)benzoic acid?
The molecular formula of 4-Chloro-3-((4-(4-fluorophenyl)piperazin-1-yl)sulfonyl)benzoic acid is C17H16ClFN2O4S.
What is the molecular weight of 4-Chloro-3-((4-(4-fluorophenyl)piperazin-1-yl)sulfonyl)benzoic acid?
The molecular weight of 4-Chloro-3-((4-(4-fluorophenyl)piperazin-1-yl)sulfonyl)benzoic acid is 398.05 g/mol.
Where can I buy 4-Chloro-3-((4-(4-fluorophenyl)piperazin-1-yl)sulfonyl)benzoic acid?
You can request a quote for 4-Chloro-3-((4-(4-fluorophenyl)piperazin-1-yl)sulfonyl)benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Chloro-3-((4-(4-fluorophenyl)piperazin-1-yl)sulfonyl)benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-Chloro-3-((4-(4-fluorophenyl)piperazin-1-yl)sulfonyl)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.