1-(2,6-Dimethylphenyl)-4-(4-nitrophenyl)sulfonylpiperazine
TL;DR: 1-(2,6-Dimethylphenyl)-4-(4-nitrophenyl)sulfonylpiperazine (CAS 694461-60-4) is a chemical compound with molecular formula C18H21N3O4S and molecular weight 375.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2,6-dimethylphenyl)-4-(4-nitrophenyl)sulfonylpiperazine
Also Known As: VU0047748-1, 1-(2,6-DIMETHYLPHENYL)-4-(4-NITROBENZENESULFONYL)PIPERAZINE, 1-(2,6-dimethylphenyl)-4-(4-nitrophenyl)sulfonylpiperazine
| Molecular Formula | C18H21N3O4S |
|---|---|
| Molecular Weight | 375.13 g/mol |
| LogP | 2.72254 |
| Topological Polar Surface Area | 83.76 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 375.12527 |
| Heavy Atoms | 26 |
| Complexity | 897.70245 |
Chemical Identifiers
| CAS Number | 694461-60-4 |
|---|---|
| SMILES | CC1=C(C(=CC=C1)C)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-] |
Product Overview
1-(2,6-Dimethylphenyl)-4-(4-nitrophenyl)sulfonylpiperazine (CAS 694461-60-4), with molecular formula C18H21N3O4S and molecular weight 375.13 g/mol. IUPAC: 1-(2,6-dimethylphenyl)-4-(4-nitrophenyl)sulfonylpiperazine.
Chemical Property Profile of 1-(2,6-Dimethylphenyl)-4-(4-nitrophenyl)sulfonylpiperazine
Property Insights of 1-(2,6-Dimethylphenyl)-4-(4-nitrophenyl)sulfonylpiperazine
The XLogP value of 2.72254 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(2,6-Dimethylphenyl)-4-(4-nitrophenyl)sulfonylpiperazine. The TPSA of 83.76 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(2,6-Dimethylphenyl)-4-(4-nitrophenyl)sulfonylpiperazine. Following Lipinski's Rule of Five, 1-(2,6-Dimethylphenyl)-4-(4-nitrophenyl)sulfonylpiperazine 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-(2,6-Dimethylphenyl)-4-(4-nitrophenyl)sulfonylpiperazine?
The CAS number of 1-(2,6-Dimethylphenyl)-4-(4-nitrophenyl)sulfonylpiperazine is 694461-60-4.
What is the molecular formula of 1-(2,6-Dimethylphenyl)-4-(4-nitrophenyl)sulfonylpiperazine?
The molecular formula of 1-(2,6-Dimethylphenyl)-4-(4-nitrophenyl)sulfonylpiperazine is C18H21N3O4S.
What is the molecular weight of 1-(2,6-Dimethylphenyl)-4-(4-nitrophenyl)sulfonylpiperazine?
The molecular weight of 1-(2,6-Dimethylphenyl)-4-(4-nitrophenyl)sulfonylpiperazine is 375.13 g/mol.
Where can I buy 1-(2,6-Dimethylphenyl)-4-(4-nitrophenyl)sulfonylpiperazine?
You can request a quote for 1-(2,6-Dimethylphenyl)-4-(4-nitrophenyl)sulfonylpiperazine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(2,6-Dimethylphenyl)-4-(4-nitrophenyl)sulfonylpiperazine?
Yes, KEHONG BIO provides custom synthesis services for 1-(2,6-Dimethylphenyl)-4-(4-nitrophenyl)sulfonylpiperazine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.