1-(3,4-Dimethylphenyl)-4-(phenylsulfonyl)piperazine
TL;DR: 1-(3,4-Dimethylphenyl)-4-(phenylsulfonyl)piperazine (CAS 694497-28-4) is a chemical compound with molecular formula C18H22N2O2S and molecular weight 330.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(benzenesulfonyl)-4-(3,4-dimethylphenyl)piperazine
Also Known As: 1-(3,4-dimethylphenyl)-4-(phenylsulfonyl)piperazine, 1-(benzenesulfonyl)-4-(3,4-dimethylphenyl)piperazine, AP-263/41670371, 4-(3,4-dimethylphenyl)-1-(phenylsulfonyl)piperazine
| Molecular Formula | C18H22N2O2S |
|---|---|
| Molecular Weight | 330.14 g/mol |
| LogP | 2.81434 |
| Topological Polar Surface Area | 40.62 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 330.1402 |
| Heavy Atoms | 23 |
| Complexity | 779.9238 |
Chemical Identifiers
| CAS Number | 694497-28-4 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3)C |
Product Overview
1-(3,4-Dimethylphenyl)-4-(phenylsulfonyl)piperazine (CAS 694497-28-4), with molecular formula C18H22N2O2S and molecular weight 330.14 g/mol. IUPAC: 1-(benzenesulfonyl)-4-(3,4-dimethylphenyl)piperazine.
Chemical Property Profile of 1-(3,4-Dimethylphenyl)-4-(phenylsulfonyl)piperazine
Property Insights of 1-(3,4-Dimethylphenyl)-4-(phenylsulfonyl)piperazine
The XLogP value of 2.81434 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(3,4-Dimethylphenyl)-4-(phenylsulfonyl)piperazine. With a topological polar surface area (TPSA) of 40.62 Ų, 1-(3,4-Dimethylphenyl)-4-(phenylsulfonyl)piperazine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(3,4-Dimethylphenyl)-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-(3,4-Dimethylphenyl)-4-(phenylsulfonyl)piperazine?
The CAS number of 1-(3,4-Dimethylphenyl)-4-(phenylsulfonyl)piperazine is 694497-28-4.
What is the molecular formula of 1-(3,4-Dimethylphenyl)-4-(phenylsulfonyl)piperazine?
The molecular formula of 1-(3,4-Dimethylphenyl)-4-(phenylsulfonyl)piperazine is C18H22N2O2S.
What is the molecular weight of 1-(3,4-Dimethylphenyl)-4-(phenylsulfonyl)piperazine?
The molecular weight of 1-(3,4-Dimethylphenyl)-4-(phenylsulfonyl)piperazine is 330.14 g/mol.
Where can I buy 1-(3,4-Dimethylphenyl)-4-(phenylsulfonyl)piperazine?
You can request a quote for 1-(3,4-Dimethylphenyl)-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-(3,4-Dimethylphenyl)-4-(phenylsulfonyl)piperazine?
Yes, KEHONG BIO provides custom synthesis services for 1-(3,4-Dimethylphenyl)-4-(phenylsulfonyl)piperazine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.