![5-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-nitro-N-(2-phenoxyethyl)aniline structure](/static/products/3308/330835-11-5.webp)
5-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-nitro-N-(2-phenoxyethyl)aniline
TL;DR: 5-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-nitro-N-(2-phenoxyethyl)aniline (CAS 330835-11-5) is a chemical compound with molecular formula C25H28N4O5S and molecular weight 496.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-nitro-N-(2-phenoxyethyl)aniline
Also Known As: 5-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-nitro-N-(2-phenoxyethyl)aniline, 2-nitro-N-(2-phenoxyethyl)-5-(4-tosylpiperazin-1-yl)aniline, 1-{4-nitro-3-[(2-phenoxyethyl)amino]phenyl}-4-[(4-methylphenyl)sulfonyl]piperazine, 5-[4-(4-METHYLBENZENESULFONYL)PIPERAZIN-1-YL]-2-NITRO-N-(2-PHENOXYETHYL)ANILINE, 5-{4-[(4-methylphenyl)sulfonyl]piperazin-1-yl}-2-nitro-N-(2-phenoxyethyl)aniline
| Molecular Formula | C25H28N4O5S |
|---|---|
| Molecular Weight | 496.18 g/mol |
| LogP | 3.90502 |
| Topological Polar Surface Area | 105.02 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 9 |
| Exact Mass | 496.17804 |
| Heavy Atoms | 35 |
| Complexity | 1258.7745 |
Chemical Identifiers
| CAS Number | 330835-11-5 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=CC(=C(C=C3)[N+](=O)[O-])NCCOC4=CC=CC=C4 |
Product Overview
5-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-nitro-N-(2-phenoxyethyl)aniline (CAS 330835-11-5), with molecular formula C25H28N4O5S and molecular weight 496.18 g/mol. IUPAC: 5-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-nitro-N-(2-phenoxyethyl)aniline.
Chemical Property Profile of 5-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-nitro-N-(2-phenoxyethyl)aniline
Property Insights of 5-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-nitro-N-(2-phenoxyethyl)aniline
The XLogP value of 3.90502 indicates that 5-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-nitro-N-(2-phenoxyethyl)aniline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 105.02 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-nitro-N-(2-phenoxyethyl)aniline. Following Lipinski's Rule of Five, 5-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-nitro-N-(2-phenoxyethyl)aniline has 1 hydrogen bond donor(s) and 7 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-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-nitro-N-(2-phenoxyethyl)aniline?
The CAS number of 5-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-nitro-N-(2-phenoxyethyl)aniline is 330835-11-5.
What is the molecular formula of 5-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-nitro-N-(2-phenoxyethyl)aniline?
The molecular formula of 5-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-nitro-N-(2-phenoxyethyl)aniline is C25H28N4O5S.
What is the molecular weight of 5-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-nitro-N-(2-phenoxyethyl)aniline?
The molecular weight of 5-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-nitro-N-(2-phenoxyethyl)aniline is 496.18 g/mol.
Where can I buy 5-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-nitro-N-(2-phenoxyethyl)aniline?
You can request a quote for 5-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-nitro-N-(2-phenoxyethyl)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-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-nitro-N-(2-phenoxyethyl)aniline?
Yes, KEHONG BIO provides custom synthesis services for 5-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-nitro-N-(2-phenoxyethyl)aniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.