![N-(2,2-dimethylpropyl)-5-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-nitroaniline structure](/static/products/7089/708997-37-9.webp)
N-(2,2-dimethylpropyl)-5-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-nitroaniline
TL;DR: N-(2,2-dimethylpropyl)-5-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-nitroaniline (CAS 708997-37-9) is a chemical compound with molecular formula C22H30N4O4S and molecular weight 446.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(2,2-dimethylpropyl)-5-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-nitroaniline
Also Known As: N-(2,2-dimethylpropyl)-5-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-nitroaniline, N-(2,2-dimethylpropyl)-5-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-nitro-aniline, N-(2,2-dimethylpropyl)-5-{4-[(4-methylphenyl)sulfonyl]piperazin-1-yl}-2-nitroaniline
| Molecular Formula | C22H30N4O4S |
|---|---|
| Molecular Weight | 446.20 g/mol |
| LogP | 3.87212 |
| Topological Polar Surface Area | 95.79 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 446.1988 |
| Heavy Atoms | 31 |
| Complexity | 1038.1709 |
Chemical Identifiers
| CAS Number | 708997-37-9 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=CC(=C(C=C3)[N+](=O)[O-])NCC(C)(C)C |
Product Overview
N-(2,2-dimethylpropyl)-5-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-nitroaniline (CAS 708997-37-9), with molecular formula C22H30N4O4S and molecular weight 446.20 g/mol. IUPAC: N-(2,2-dimethylpropyl)-5-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-nitroaniline.
Chemical Property Profile of N-(2,2-dimethylpropyl)-5-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-nitroaniline
Property Insights of N-(2,2-dimethylpropyl)-5-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-nitroaniline
The XLogP value of 3.87212 indicates that N-(2,2-dimethylpropyl)-5-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-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 N-(2,2-dimethylpropyl)-5-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-nitroaniline. Following Lipinski's Rule of Five, N-(2,2-dimethylpropyl)-5-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-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 N-(2,2-dimethylpropyl)-5-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-nitroaniline?
The CAS number of N-(2,2-dimethylpropyl)-5-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-nitroaniline is 708997-37-9.
What is the molecular formula of N-(2,2-dimethylpropyl)-5-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-nitroaniline?
The molecular formula of N-(2,2-dimethylpropyl)-5-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-nitroaniline is C22H30N4O4S.
What is the molecular weight of N-(2,2-dimethylpropyl)-5-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-nitroaniline?
The molecular weight of N-(2,2-dimethylpropyl)-5-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-nitroaniline is 446.20 g/mol.
Where can I buy N-(2,2-dimethylpropyl)-5-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-nitroaniline?
You can request a quote for N-(2,2-dimethylpropyl)-5-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-nitroaniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(2,2-dimethylpropyl)-5-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-nitroaniline?
Yes, KEHONG BIO provides custom synthesis services for N-(2,2-dimethylpropyl)-5-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-nitroaniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.