1-Benzyl-4-((4-chloro-3-(trifluoromethyl)phenyl)sulfonyl)piperazine
TL;DR: 1-Benzyl-4-((4-chloro-3-(trifluoromethyl)phenyl)sulfonyl)piperazine (CAS 97629-69-1) is a chemical compound with molecular formula C18H18ClF3N2O2S and molecular weight 418.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-benzyl-4-[4-chloro-3-(trifluoromethyl)phenyl]sulfonylpiperazine
Also Known As: 1-benzyl-4-((4-chloro-3-(trifluoromethyl)phenyl)sulfonyl)piperazine, AQ-750/41789588, VU0618084-1, 1-benzyl-4-[4-chloro-3-(trifluoromethyl)phenyl]sulfonylpiperazine, 1-benzyl-4-[4-chloro-3-(trifluoromethyl)benzenesulfonyl]piperazine
| Molecular Formula | C18H18ClF3N2O2S |
|---|---|
| Molecular Weight | 418.07 g/mol |
| LogP | 3.8653 |
| Topological Polar Surface Area | 40.62 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 418.07297 |
| Heavy Atoms | 27 |
| Complexity | 896.56793 |
Chemical Identifiers
| CAS Number | 97629-69-1 |
|---|---|
| SMILES | C1CN(CCN1CC2=CC=CC=C2)S(=O)(=O)C3=CC(=C(C=C3)Cl)C(F)(F)F |
Product Overview
1-Benzyl-4-((4-chloro-3-(trifluoromethyl)phenyl)sulfonyl)piperazine (CAS 97629-69-1), with molecular formula C18H18ClF3N2O2S and molecular weight 418.07 g/mol. IUPAC: 1-benzyl-4-[4-chloro-3-(trifluoromethyl)phenyl]sulfonylpiperazine.
Chemical Property Profile of 1-Benzyl-4-((4-chloro-3-(trifluoromethyl)phenyl)sulfonyl)piperazine
Property Insights of 1-Benzyl-4-((4-chloro-3-(trifluoromethyl)phenyl)sulfonyl)piperazine
The XLogP value of 3.8653 indicates that 1-Benzyl-4-((4-chloro-3-(trifluoromethyl)phenyl)sulfonyl)piperazine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 40.62 Ų, 1-Benzyl-4-((4-chloro-3-(trifluoromethyl)phenyl)sulfonyl)piperazine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Benzyl-4-((4-chloro-3-(trifluoromethyl)phenyl)sulfonyl)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-Benzyl-4-((4-chloro-3-(trifluoromethyl)phenyl)sulfonyl)piperazine?
The CAS number of 1-Benzyl-4-((4-chloro-3-(trifluoromethyl)phenyl)sulfonyl)piperazine is 97629-69-1.
What is the molecular formula of 1-Benzyl-4-((4-chloro-3-(trifluoromethyl)phenyl)sulfonyl)piperazine?
The molecular formula of 1-Benzyl-4-((4-chloro-3-(trifluoromethyl)phenyl)sulfonyl)piperazine is C18H18ClF3N2O2S.
What is the molecular weight of 1-Benzyl-4-((4-chloro-3-(trifluoromethyl)phenyl)sulfonyl)piperazine?
The molecular weight of 1-Benzyl-4-((4-chloro-3-(trifluoromethyl)phenyl)sulfonyl)piperazine is 418.07 g/mol.
Where can I buy 1-Benzyl-4-((4-chloro-3-(trifluoromethyl)phenyl)sulfonyl)piperazine?
You can request a quote for 1-Benzyl-4-((4-chloro-3-(trifluoromethyl)phenyl)sulfonyl)piperazine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Benzyl-4-((4-chloro-3-(trifluoromethyl)phenyl)sulfonyl)piperazine?
Yes, KEHONG BIO provides custom synthesis services for 1-Benzyl-4-((4-chloro-3-(trifluoromethyl)phenyl)sulfonyl)piperazine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.