1-(4-Fluorophenyl)-4-(p-tolylsulphonyl)piperazine
TL;DR: 1-(4-Fluorophenyl)-4-(p-tolylsulphonyl)piperazine (CAS 4004-97-1) is a chemical compound with molecular formula C17H19FN2O2S and molecular weight 334.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-fluorophenyl)-4-(4-methylphenyl)sulfonylpiperazine
Also Known As: 1- -4- PIPERAZINE, 1-(4-Fluorophenyl)-4-(p-tolylsulphonyl)piperazine, KST-1B4193, 1-(4-fluorophenyl)-4-tosylpiperazine, 1-(4-fluorophenyl)-4-[(4-methylphenyl)sulfonyl]piperazine
| Molecular Formula | C17H19FN2O2S |
|---|---|
| Molecular Weight | 334.12 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 49.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 334.1151 |
| Heavy Atoms | 23 |
| Complexity | 469.0 |
Chemical Identifiers
| CAS Number | 4004-97-1 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=CC=C(C=C3)F |
| InChIKey | CIGSCDLAXLXDQV-UHFFFAOYSA-N |
Product Overview
1-(4-Fluorophenyl)-4-(p-tolylsulphonyl)piperazine (CAS 4004-97-1), with molecular formula C17H19FN2O2S and molecular weight 334.12 g/mol. IUPAC: 1-(4-fluorophenyl)-4-(4-methylphenyl)sulfonylpiperazine.
Chemical Property Profile of 1-(4-Fluorophenyl)-4-(p-tolylsulphonyl)piperazine
Property Insights of 1-(4-Fluorophenyl)-4-(p-tolylsulphonyl)piperazine
The XLogP value of 3.1 indicates that 1-(4-Fluorophenyl)-4-(p-tolylsulphonyl)piperazine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 49.0 Ų, 1-(4-Fluorophenyl)-4-(p-tolylsulphonyl)piperazine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(4-Fluorophenyl)-4-(p-tolylsulphonyl)piperazine has 0 hydrogen bond donor(s) and 5 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-(4-Fluorophenyl)-4-(p-tolylsulphonyl)piperazine?
The CAS number of 1-(4-Fluorophenyl)-4-(p-tolylsulphonyl)piperazine is 4004-97-1.
What is the molecular formula of 1-(4-Fluorophenyl)-4-(p-tolylsulphonyl)piperazine?
The molecular formula of 1-(4-Fluorophenyl)-4-(p-tolylsulphonyl)piperazine is C17H19FN2O2S.
What is the molecular weight of 1-(4-Fluorophenyl)-4-(p-tolylsulphonyl)piperazine?
The molecular weight of 1-(4-Fluorophenyl)-4-(p-tolylsulphonyl)piperazine is 334.12 g/mol.
Where can I buy 1-(4-Fluorophenyl)-4-(p-tolylsulphonyl)piperazine?
You can request a quote for 1-(4-Fluorophenyl)-4-(p-tolylsulphonyl)piperazine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(4-Fluorophenyl)-4-(p-tolylsulphonyl)piperazine?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-Fluorophenyl)-4-(p-tolylsulphonyl)piperazine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.