1-(3,4-Dimethylbenzenesulfonyl)-4-(4-methylbenzoyl)piperazine
TL;DR: 1-(3,4-Dimethylbenzenesulfonyl)-4-(4-methylbenzoyl)piperazine (CAS 694463-88-2) is a chemical compound with molecular formula C20H24N2O3S and molecular weight 372.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-(4-methylphenyl)methanone
Also Known As: 1-(3,4-dimethylbenzenesulfonyl)-4-(4-methylbenzoyl)piperazine, 4-[(3,4-dimethylphenyl)sulfonyl]piperazinyl 4-methylphenyl ketone, [4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-(4-methylphenyl)methanone
| Molecular Formula | C20H24N2O3S |
|---|---|
| Molecular Weight | 372.15 g/mol |
| LogP | 2.75856 |
| Topological Polar Surface Area | 57.69 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 372.15076 |
| Heavy Atoms | 26 |
| Complexity | 912.5725 |
Chemical Identifiers
| CAS Number | 694463-88-2 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C(=O)N2CCN(CC2)S(=O)(=O)C3=CC(=C(C=C3)C)C |
Product Overview
1-(3,4-Dimethylbenzenesulfonyl)-4-(4-methylbenzoyl)piperazine (CAS 694463-88-2), with molecular formula C20H24N2O3S and molecular weight 372.15 g/mol. IUPAC: [4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-(4-methylphenyl)methanone.
Chemical Property Profile of 1-(3,4-Dimethylbenzenesulfonyl)-4-(4-methylbenzoyl)piperazine
Property Insights of 1-(3,4-Dimethylbenzenesulfonyl)-4-(4-methylbenzoyl)piperazine
The XLogP value of 2.75856 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(3,4-Dimethylbenzenesulfonyl)-4-(4-methylbenzoyl)piperazine. With a topological polar surface area (TPSA) of 57.69 Ų, 1-(3,4-Dimethylbenzenesulfonyl)-4-(4-methylbenzoyl)piperazine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(3,4-Dimethylbenzenesulfonyl)-4-(4-methylbenzoyl)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-Dimethylbenzenesulfonyl)-4-(4-methylbenzoyl)piperazine?
The CAS number of 1-(3,4-Dimethylbenzenesulfonyl)-4-(4-methylbenzoyl)piperazine is 694463-88-2.
What is the molecular formula of 1-(3,4-Dimethylbenzenesulfonyl)-4-(4-methylbenzoyl)piperazine?
The molecular formula of 1-(3,4-Dimethylbenzenesulfonyl)-4-(4-methylbenzoyl)piperazine is C20H24N2O3S.
What is the molecular weight of 1-(3,4-Dimethylbenzenesulfonyl)-4-(4-methylbenzoyl)piperazine?
The molecular weight of 1-(3,4-Dimethylbenzenesulfonyl)-4-(4-methylbenzoyl)piperazine is 372.15 g/mol.
Where can I buy 1-(3,4-Dimethylbenzenesulfonyl)-4-(4-methylbenzoyl)piperazine?
You can request a quote for 1-(3,4-Dimethylbenzenesulfonyl)-4-(4-methylbenzoyl)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-Dimethylbenzenesulfonyl)-4-(4-methylbenzoyl)piperazine?
Yes, KEHONG BIO provides custom synthesis services for 1-(3,4-Dimethylbenzenesulfonyl)-4-(4-methylbenzoyl)piperazine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.