![5-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-N-ethyl-2-nitroaniline structure](/static/products/6631/663181-98-4.webp)
5-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-N-ethyl-2-nitroaniline
TL;DR: 5-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-N-ethyl-2-nitroaniline (CAS 663181-98-4) is a chemical compound with molecular formula C20H26N4O4S and molecular weight 418.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-N-ethyl-2-nitroaniline
Also Known As: 5-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-N-ethyl-2-nitroaniline, 5-{4-[(3,4-dimethylphenyl)sulfonyl]piperazin-1-yl}-N-ethyl-2-nitroaniline
| Molecular Formula | C20H26N4O4S |
|---|---|
| Molecular Weight | 418.17 g/mol |
| LogP | 3.15434 |
| Topological Polar Surface Area | 95.79 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 418.16748 |
| Heavy Atoms | 29 |
| Complexity | 1015.1364 |
Chemical Identifiers
| CAS Number | 663181-98-4 |
|---|---|
| SMILES | CCNC1=C(C=CC(=C1)N2CCN(CC2)S(=O)(=O)C3=CC(=C(C=C3)C)C)[N+](=O)[O-] |
Product Overview
5-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-N-ethyl-2-nitroaniline (CAS 663181-98-4), with molecular formula C20H26N4O4S and molecular weight 418.17 g/mol. IUPAC: 5-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-N-ethyl-2-nitroaniline.
Chemical Property Profile of 5-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-N-ethyl-2-nitroaniline
Property Insights of 5-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-N-ethyl-2-nitroaniline
The XLogP value of 3.15434 indicates that 5-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-N-ethyl-2-nitroaniline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 95.79 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-N-ethyl-2-nitroaniline. Following Lipinski's Rule of Five, 5-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-N-ethyl-2-nitroaniline has 1 hydrogen bond donor(s) and 6 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 5-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-N-ethyl-2-nitroaniline?
The CAS number of 5-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-N-ethyl-2-nitroaniline is 663181-98-4.
What is the molecular formula of 5-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-N-ethyl-2-nitroaniline?
The molecular formula of 5-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-N-ethyl-2-nitroaniline is C20H26N4O4S.
What is the molecular weight of 5-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-N-ethyl-2-nitroaniline?
The molecular weight of 5-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-N-ethyl-2-nitroaniline is 418.17 g/mol.
Where can I buy 5-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-N-ethyl-2-nitroaniline?
You can request a quote for 5-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-N-ethyl-2-nitroaniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-N-ethyl-2-nitroaniline?
Yes, KEHONG BIO provides custom synthesis services for 5-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-N-ethyl-2-nitroaniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.