1-(3-Nitrobenzoyl)-4-(2,4,6-trimethylbenzenesulfonyl)piperazine
TL;DR: 1-(3-Nitrobenzoyl)-4-(2,4,6-trimethylbenzenesulfonyl)piperazine (CAS 708221-09-4) is a chemical compound with molecular formula C20H23N3O5S and molecular weight 417.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3-nitrophenyl)-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]methanone
Also Known As: VU0508564-1, AB00352514-02, 1-(3-nitrobenzoyl)-4-(2,4,6-trimethylbenzenesulfonyl)piperazine, (4-(mesitylsulfonyl)piperazin-1-yl)(3-nitrophenyl)methanone, F3083-0020
| Molecular Formula | C20H23N3O5S |
|---|---|
| Molecular Weight | 417.14 g/mol |
| LogP | 2.66676 |
| Topological Polar Surface Area | 100.83 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 417.13583 |
| Heavy Atoms | 29 |
| Complexity | 1050.2694 |
Chemical Identifiers
| CAS Number | 708221-09-4 |
|---|---|
| SMILES | CC1=CC(=C(C(=C1)C)S(=O)(=O)N2CCN(CC2)C(=O)C3=CC(=CC=C3)[N+](=O)[O-])C |
Product Overview
1-(3-Nitrobenzoyl)-4-(2,4,6-trimethylbenzenesulfonyl)piperazine (CAS 708221-09-4), with molecular formula C20H23N3O5S and molecular weight 417.14 g/mol. IUPAC: (3-nitrophenyl)-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]methanone.
Chemical Property Profile of 1-(3-Nitrobenzoyl)-4-(2,4,6-trimethylbenzenesulfonyl)piperazine
Property Insights of 1-(3-Nitrobenzoyl)-4-(2,4,6-trimethylbenzenesulfonyl)piperazine
The XLogP value of 2.66676 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(3-Nitrobenzoyl)-4-(2,4,6-trimethylbenzenesulfonyl)piperazine. The TPSA of 100.83 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(3-Nitrobenzoyl)-4-(2,4,6-trimethylbenzenesulfonyl)piperazine. Following Lipinski's Rule of Five, 1-(3-Nitrobenzoyl)-4-(2,4,6-trimethylbenzenesulfonyl)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-(3-Nitrobenzoyl)-4-(2,4,6-trimethylbenzenesulfonyl)piperazine?
The CAS number of 1-(3-Nitrobenzoyl)-4-(2,4,6-trimethylbenzenesulfonyl)piperazine is 708221-09-4.
What is the molecular formula of 1-(3-Nitrobenzoyl)-4-(2,4,6-trimethylbenzenesulfonyl)piperazine?
The molecular formula of 1-(3-Nitrobenzoyl)-4-(2,4,6-trimethylbenzenesulfonyl)piperazine is C20H23N3O5S.
What is the molecular weight of 1-(3-Nitrobenzoyl)-4-(2,4,6-trimethylbenzenesulfonyl)piperazine?
The molecular weight of 1-(3-Nitrobenzoyl)-4-(2,4,6-trimethylbenzenesulfonyl)piperazine is 417.14 g/mol.
Where can I buy 1-(3-Nitrobenzoyl)-4-(2,4,6-trimethylbenzenesulfonyl)piperazine?
You can request a quote for 1-(3-Nitrobenzoyl)-4-(2,4,6-trimethylbenzenesulfonyl)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-Nitrobenzoyl)-4-(2,4,6-trimethylbenzenesulfonyl)piperazine?
Yes, KEHONG BIO provides custom synthesis services for 1-(3-Nitrobenzoyl)-4-(2,4,6-trimethylbenzenesulfonyl)piperazine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.