2-nitro-N-phenethyl-5-(4-tosylpiperazin-1-yl)aniline
TL;DR: 2-nitro-N-phenethyl-5-(4-tosylpiperazin-1-yl)aniline (CAS 347356-15-4) is a chemical compound with molecular formula C25H28N4O4S and molecular weight 480.18 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-phenylethyl)aniline
Also Known As: 2-nitro-N-phenethyl-5-(4-tosylpiperazin-1-yl)aniline, A2547/0108402, 1-{4-nitro-3-[(2-phenylethyl)amino]phenyl}-4-[(4-methylphenyl)sulfonyl]piperazine, 5-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-nitro-N-(2-phenylethyl)aniline, 5-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-nitro-N-phenethylaniline
| Molecular Formula | C25H28N4O4S |
|---|---|
| Molecular Weight | 480.18 g/mol |
| LogP | 4.06872 |
| Topological Polar Surface Area | 95.79 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 480.18314 |
| Heavy Atoms | 34 |
| Complexity | 1239.6671 |
Chemical Identifiers
| CAS Number | 347356-15-4 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=CC(=C(C=C3)[N+](=O)[O-])NCCC4=CC=CC=C4 |
Product Overview
2-nitro-N-phenethyl-5-(4-tosylpiperazin-1-yl)aniline (CAS 347356-15-4), with molecular formula C25H28N4O4S and molecular weight 480.18 g/mol. IUPAC: 5-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-nitro-N-(2-phenylethyl)aniline.
Chemical Property Profile of 2-nitro-N-phenethyl-5-(4-tosylpiperazin-1-yl)aniline
Property Insights of 2-nitro-N-phenethyl-5-(4-tosylpiperazin-1-yl)aniline
The XLogP value of 4.06872 indicates that 2-nitro-N-phenethyl-5-(4-tosylpiperazin-1-yl)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 2-nitro-N-phenethyl-5-(4-tosylpiperazin-1-yl)aniline. Following Lipinski's Rule of Five, 2-nitro-N-phenethyl-5-(4-tosylpiperazin-1-yl)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 2-nitro-N-phenethyl-5-(4-tosylpiperazin-1-yl)aniline?
The CAS number of 2-nitro-N-phenethyl-5-(4-tosylpiperazin-1-yl)aniline is 347356-15-4.
What is the molecular formula of 2-nitro-N-phenethyl-5-(4-tosylpiperazin-1-yl)aniline?
The molecular formula of 2-nitro-N-phenethyl-5-(4-tosylpiperazin-1-yl)aniline is C25H28N4O4S.
What is the molecular weight of 2-nitro-N-phenethyl-5-(4-tosylpiperazin-1-yl)aniline?
The molecular weight of 2-nitro-N-phenethyl-5-(4-tosylpiperazin-1-yl)aniline is 480.18 g/mol.
Where can I buy 2-nitro-N-phenethyl-5-(4-tosylpiperazin-1-yl)aniline?
You can request a quote for 2-nitro-N-phenethyl-5-(4-tosylpiperazin-1-yl)aniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-nitro-N-phenethyl-5-(4-tosylpiperazin-1-yl)aniline?
Yes, KEHONG BIO provides custom synthesis services for 2-nitro-N-phenethyl-5-(4-tosylpiperazin-1-yl)aniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.