1-(p-Tolylsulphonyl)-4-(3-(trifluoromethyl)phenyl)piperazine
TL;DR: 1-(p-Tolylsulphonyl)-4-(3-(trifluoromethyl)phenyl)piperazine (CAS 83863-48-3) is a chemical compound with molecular formula C18H19F3N2O2S and molecular weight 384.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-methylphenyl)sulfonyl-4-[3-(trifluoromethyl)phenyl]piperazine
Also Known As: EINECS 281-111-3, 1-4-[3- phenyl]piperazine, 1- -4-[3- phenyl]piperazine, 1-(p-Tolylsulphonyl)-4-(3-(trifluoromethyl)phenyl)piperazine, 1-[(4-methylphenyl)sulfonyl]-4-[3-(trifluoromethyl)phenyl]piperazine
| Molecular Formula | C18H19F3N2O2S |
|---|---|
| Molecular Weight | 384.11 g/mol |
| LogP | 3.52472 |
| Topological Polar Surface Area | 40.62 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 384.11194 |
| Heavy Atoms | 26 |
| Complexity | 872.0544 |
Chemical Identifiers
| CAS Number | 83863-48-3 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=CC=CC(=C3)C(F)(F)F |
Product Overview
1-(p-Tolylsulphonyl)-4-(3-(trifluoromethyl)phenyl)piperazine (CAS 83863-48-3), with molecular formula C18H19F3N2O2S and molecular weight 384.11 g/mol. IUPAC: 1-(4-methylphenyl)sulfonyl-4-[3-(trifluoromethyl)phenyl]piperazine.
Chemical Property Profile of 1-(p-Tolylsulphonyl)-4-(3-(trifluoromethyl)phenyl)piperazine
Property Insights of 1-(p-Tolylsulphonyl)-4-(3-(trifluoromethyl)phenyl)piperazine
The XLogP value of 3.52472 indicates that 1-(p-Tolylsulphonyl)-4-(3-(trifluoromethyl)phenyl)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-(p-Tolylsulphonyl)-4-(3-(trifluoromethyl)phenyl)piperazine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(p-Tolylsulphonyl)-4-(3-(trifluoromethyl)phenyl)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-(p-Tolylsulphonyl)-4-(3-(trifluoromethyl)phenyl)piperazine?
The CAS number of 1-(p-Tolylsulphonyl)-4-(3-(trifluoromethyl)phenyl)piperazine is 83863-48-3.
What is the molecular formula of 1-(p-Tolylsulphonyl)-4-(3-(trifluoromethyl)phenyl)piperazine?
The molecular formula of 1-(p-Tolylsulphonyl)-4-(3-(trifluoromethyl)phenyl)piperazine is C18H19F3N2O2S.
What is the molecular weight of 1-(p-Tolylsulphonyl)-4-(3-(trifluoromethyl)phenyl)piperazine?
The molecular weight of 1-(p-Tolylsulphonyl)-4-(3-(trifluoromethyl)phenyl)piperazine is 384.11 g/mol.
Where can I buy 1-(p-Tolylsulphonyl)-4-(3-(trifluoromethyl)phenyl)piperazine?
You can request a quote for 1-(p-Tolylsulphonyl)-4-(3-(trifluoromethyl)phenyl)piperazine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(p-Tolylsulphonyl)-4-(3-(trifluoromethyl)phenyl)piperazine?
Yes, KEHONG BIO provides custom synthesis services for 1-(p-Tolylsulphonyl)-4-(3-(trifluoromethyl)phenyl)piperazine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.