1-(3-Chlorophenyl)-4-(4-fluorobenzenesulfonyl)piperazine
TL;DR: 1-(3-Chlorophenyl)-4-(4-fluorobenzenesulfonyl)piperazine (CAS 313981-59-8) is a chemical compound with molecular formula C16H16ClFN2O2S and molecular weight 354.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(3-chlorophenyl)-4-(4-fluorophenyl)sulfonylpiperazine
Also Known As: BAS 00501472, 1-(3-chlorophenyl)-4-(4-fluorobenzenesulfonyl)piperazine, 1-(3-chlorophenyl)-4-((4-fluorophenyl)sulfonyl)piperazine, AB00082766-01, 1-(3-chlorophenyl)-4-(4-fluorophenyl)sulfonylpiperazine
| Molecular Formula | C16H16ClFN2O2S |
|---|---|
| Molecular Weight | 354.06 g/mol |
| LogP | 2.99 |
| Topological Polar Surface Area | 40.62 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 354.06052 |
| Heavy Atoms | 23 |
| Complexity | 787.9825 |
Chemical Identifiers
| CAS Number | 313981-59-8 |
|---|---|
| SMILES | C1CN(CCN1C2=CC(=CC=C2)Cl)S(=O)(=O)C3=CC=C(C=C3)F |
Product Overview
1-(3-Chlorophenyl)-4-(4-fluorobenzenesulfonyl)piperazine (CAS 313981-59-8), with molecular formula C16H16ClFN2O2S and molecular weight 354.06 g/mol. IUPAC: 1-(3-chlorophenyl)-4-(4-fluorophenyl)sulfonylpiperazine.
Chemical Property Profile of 1-(3-Chlorophenyl)-4-(4-fluorobenzenesulfonyl)piperazine
Property Insights of 1-(3-Chlorophenyl)-4-(4-fluorobenzenesulfonyl)piperazine
The XLogP value of 2.99 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(3-Chlorophenyl)-4-(4-fluorobenzenesulfonyl)piperazine. With a topological polar surface area (TPSA) of 40.62 Ų, 1-(3-Chlorophenyl)-4-(4-fluorobenzenesulfonyl)piperazine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(3-Chlorophenyl)-4-(4-fluorobenzenesulfonyl)piperazine has 0 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-Chlorophenyl)-4-(4-fluorobenzenesulfonyl)piperazine?
The CAS number of 1-(3-Chlorophenyl)-4-(4-fluorobenzenesulfonyl)piperazine is 313981-59-8.
What is the molecular formula of 1-(3-Chlorophenyl)-4-(4-fluorobenzenesulfonyl)piperazine?
The molecular formula of 1-(3-Chlorophenyl)-4-(4-fluorobenzenesulfonyl)piperazine is C16H16ClFN2O2S.
What is the molecular weight of 1-(3-Chlorophenyl)-4-(4-fluorobenzenesulfonyl)piperazine?
The molecular weight of 1-(3-Chlorophenyl)-4-(4-fluorobenzenesulfonyl)piperazine is 354.06 g/mol.
Where can I buy 1-(3-Chlorophenyl)-4-(4-fluorobenzenesulfonyl)piperazine?
You can request a quote for 1-(3-Chlorophenyl)-4-(4-fluorobenzenesulfonyl)piperazine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(3-Chlorophenyl)-4-(4-fluorobenzenesulfonyl)piperazine?
Yes, KEHONG BIO provides custom synthesis services for 1-(3-Chlorophenyl)-4-(4-fluorobenzenesulfonyl)piperazine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.