1-(2,4-Dimethylbenzenesulfonyl)-4-(4-nitrobenzoyl)piperazine
TL;DR: 1-(2,4-Dimethylbenzenesulfonyl)-4-(4-nitrobenzoyl)piperazine (CAS 501104-64-9) is a chemical compound with molecular formula C19H21N3O5S and molecular weight 403.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-(4-nitrophenyl)methanone
Also Known As: 1-(2,4-dimethylbenzenesulfonyl)-4-(4-nitrobenzoyl)piperazine, (4-((2,4-dimethylphenyl)sulfonyl)piperazin-1-yl)(4-nitrophenyl)methanone, F1318-0182, [4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-(4-nitrophenyl)methanone, 4-[(2,4-dimethylphenyl)sulfonyl]piperazinyl 4-nitrophenyl ketone
| Molecular Formula | C19H21N3O5S |
|---|---|
| Molecular Weight | 403.12 g/mol |
| LogP | 2.35834 |
| Topological Polar Surface Area | 100.83 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 403.12018 |
| Heavy Atoms | 28 |
| Complexity | 1010.3647 |
Chemical Identifiers
| CAS Number | 501104-64-9 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C3=CC=C(C=C3)[N+](=O)[O-])C |
Product Overview
1-(2,4-Dimethylbenzenesulfonyl)-4-(4-nitrobenzoyl)piperazine (CAS 501104-64-9), with molecular formula C19H21N3O5S and molecular weight 403.12 g/mol. IUPAC: [4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-(4-nitrophenyl)methanone.
Chemical Property Profile of 1-(2,4-Dimethylbenzenesulfonyl)-4-(4-nitrobenzoyl)piperazine
Property Insights of 1-(2,4-Dimethylbenzenesulfonyl)-4-(4-nitrobenzoyl)piperazine
The XLogP value of 2.35834 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(2,4-Dimethylbenzenesulfonyl)-4-(4-nitrobenzoyl)piperazine. The TPSA of 100.83 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(2,4-Dimethylbenzenesulfonyl)-4-(4-nitrobenzoyl)piperazine. Following Lipinski's Rule of Five, 1-(2,4-Dimethylbenzenesulfonyl)-4-(4-nitrobenzoyl)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-(2,4-Dimethylbenzenesulfonyl)-4-(4-nitrobenzoyl)piperazine?
The CAS number of 1-(2,4-Dimethylbenzenesulfonyl)-4-(4-nitrobenzoyl)piperazine is 501104-64-9.
What is the molecular formula of 1-(2,4-Dimethylbenzenesulfonyl)-4-(4-nitrobenzoyl)piperazine?
The molecular formula of 1-(2,4-Dimethylbenzenesulfonyl)-4-(4-nitrobenzoyl)piperazine is C19H21N3O5S.
What is the molecular weight of 1-(2,4-Dimethylbenzenesulfonyl)-4-(4-nitrobenzoyl)piperazine?
The molecular weight of 1-(2,4-Dimethylbenzenesulfonyl)-4-(4-nitrobenzoyl)piperazine is 403.12 g/mol.
Where can I buy 1-(2,4-Dimethylbenzenesulfonyl)-4-(4-nitrobenzoyl)piperazine?
You can request a quote for 1-(2,4-Dimethylbenzenesulfonyl)-4-(4-nitrobenzoyl)piperazine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(2,4-Dimethylbenzenesulfonyl)-4-(4-nitrobenzoyl)piperazine?
Yes, KEHONG BIO provides custom synthesis services for 1-(2,4-Dimethylbenzenesulfonyl)-4-(4-nitrobenzoyl)piperazine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.