1-(3-Chloro-4-methylphenyl)-4-(phenylsulfonyl)piperazine
TL;DR: 1-(3-Chloro-4-methylphenyl)-4-(phenylsulfonyl)piperazine (CAS 681844-42-8) is a chemical compound with molecular formula C17H19ClN2O2S and molecular weight 350.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(benzenesulfonyl)-4-(3-chloro-4-methylphenyl)piperazine
Also Known As: 1-(3-chloro-4-methylphenyl)-4-(phenylsulfonyl)piperazine, 1-(benzenesulfonyl)-4-(3-chloro-4-methylphenyl)piperazine, VU0489278-1, F1452-0138, AP-263/41670369
| Molecular Formula | C17H19ClN2O2S |
|---|---|
| Molecular Weight | 350.09 g/mol |
| LogP | 3.15932 |
| Topological Polar Surface Area | 40.62 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 350.08557 |
| Heavy Atoms | 23 |
| Complexity | 785.4956 |
Chemical Identifiers
| CAS Number | 681844-42-8 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3)Cl |
Product Overview
1-(3-Chloro-4-methylphenyl)-4-(phenylsulfonyl)piperazine (CAS 681844-42-8), with molecular formula C17H19ClN2O2S and molecular weight 350.09 g/mol. IUPAC: 1-(benzenesulfonyl)-4-(3-chloro-4-methylphenyl)piperazine.
Chemical Property Profile of 1-(3-Chloro-4-methylphenyl)-4-(phenylsulfonyl)piperazine
Property Insights of 1-(3-Chloro-4-methylphenyl)-4-(phenylsulfonyl)piperazine
The XLogP value of 3.15932 indicates that 1-(3-Chloro-4-methylphenyl)-4-(phenylsulfonyl)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-(3-Chloro-4-methylphenyl)-4-(phenylsulfonyl)piperazine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(3-Chloro-4-methylphenyl)-4-(phenylsulfonyl)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-Chloro-4-methylphenyl)-4-(phenylsulfonyl)piperazine?
The CAS number of 1-(3-Chloro-4-methylphenyl)-4-(phenylsulfonyl)piperazine is 681844-42-8.
What is the molecular formula of 1-(3-Chloro-4-methylphenyl)-4-(phenylsulfonyl)piperazine?
The molecular formula of 1-(3-Chloro-4-methylphenyl)-4-(phenylsulfonyl)piperazine is C17H19ClN2O2S.
What is the molecular weight of 1-(3-Chloro-4-methylphenyl)-4-(phenylsulfonyl)piperazine?
The molecular weight of 1-(3-Chloro-4-methylphenyl)-4-(phenylsulfonyl)piperazine is 350.09 g/mol.
Where can I buy 1-(3-Chloro-4-methylphenyl)-4-(phenylsulfonyl)piperazine?
You can request a quote for 1-(3-Chloro-4-methylphenyl)-4-(phenylsulfonyl)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-Chloro-4-methylphenyl)-4-(phenylsulfonyl)piperazine?
Yes, KEHONG BIO provides custom synthesis services for 1-(3-Chloro-4-methylphenyl)-4-(phenylsulfonyl)piperazine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.