![5-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-2-nitro-N-(1-phenylethyl)aniline structure](/static/products/6631/663181-96-2.webp)
5-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-2-nitro-N-(1-phenylethyl)aniline
TL;DR: 5-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-2-nitro-N-(1-phenylethyl)aniline (CAS 663181-96-2) is a chemical compound with molecular formula C26H30N4O4S and molecular weight 494.20 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]-2-nitro-N-(1-phenylethyl)aniline
Also Known As: 5-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-2-nitro-N-(1-phenylethyl)aniline, 5-{4-[(3,4-dimethylphenyl)sulfonyl]piperazin-1-yl}-2-nitro-N-(1-phenylethyl)aniline
| Molecular Formula | C26H30N4O4S |
|---|---|
| Molecular Weight | 494.20 g/mol |
| LogP | 4.89564 |
| Topological Polar Surface Area | 95.79 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 494.1988 |
| Heavy Atoms | 35 |
| Complexity | 1320.4333 |
Chemical Identifiers
| CAS Number | 663181-96-2 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=CC(=C(C=C3)[N+](=O)[O-])NC(C)C4=CC=CC=C4)C |
Product Overview
5-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-2-nitro-N-(1-phenylethyl)aniline (CAS 663181-96-2), with molecular formula C26H30N4O4S and molecular weight 494.20 g/mol. IUPAC: 5-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-2-nitro-N-(1-phenylethyl)aniline.
Chemical Property Profile of 5-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-2-nitro-N-(1-phenylethyl)aniline
Property Insights of 5-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-2-nitro-N-(1-phenylethyl)aniline
The XLogP value of 4.89564 indicates that 5-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-2-nitro-N-(1-phenylethyl)aniline 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]-2-nitro-N-(1-phenylethyl)aniline. Following Lipinski's Rule of Five, 5-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-2-nitro-N-(1-phenylethyl)aniline 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]-2-nitro-N-(1-phenylethyl)aniline?
The CAS number of 5-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-2-nitro-N-(1-phenylethyl)aniline is 663181-96-2.
What is the molecular formula of 5-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-2-nitro-N-(1-phenylethyl)aniline?
The molecular formula of 5-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-2-nitro-N-(1-phenylethyl)aniline is C26H30N4O4S.
What is the molecular weight of 5-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-2-nitro-N-(1-phenylethyl)aniline?
The molecular weight of 5-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-2-nitro-N-(1-phenylethyl)aniline is 494.20 g/mol.
Where can I buy 5-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-2-nitro-N-(1-phenylethyl)aniline?
You can request a quote for 5-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-2-nitro-N-(1-phenylethyl)aniline 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]-2-nitro-N-(1-phenylethyl)aniline?
Yes, KEHONG BIO provides custom synthesis services for 5-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-2-nitro-N-(1-phenylethyl)aniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.