5-(4-methylpiperazin-1-yl)-2-nitro-N-(1-phenylethyl)aniline
TL;DR: 5-(4-methylpiperazin-1-yl)-2-nitro-N-(1-phenylethyl)aniline (CAS 430458-53-0) is a chemical compound with molecular formula C19H24N4O2 and molecular weight 340.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(4-methylpiperazin-1-yl)-2-nitro-N-(1-phenylethyl)aniline
Also Known As: 5-(4-methylpiperazin-1-yl)-2-nitro-N-(1-phenylethyl)aniline, N-(1-phenylethyl)-5-(4-methylpiperazino)-2-nitroaniline, 1-{4-nitro-3-[(1-phenylethyl)amino]phenyl}-4-methylpiperazine, 5-(4-methylpiperazin-1-yl)-2-nitro-N-(1-phenylethyl)benzenamine
| Molecular Formula | C19H24N4O2 |
|---|---|
| Molecular Weight | 340.19 g/mol |
| LogP | 3.5197 |
| Topological Polar Surface Area | 61.65 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 340.1899 |
| Heavy Atoms | 25 |
| Complexity | 727.45886 |
Chemical Identifiers
| CAS Number | 430458-53-0 |
|---|---|
| SMILES | CC(C1=CC=CC=C1)NC2=C(C=CC(=C2)N3CCN(CC3)C)[N+](=O)[O-] |
Product Overview
5-(4-methylpiperazin-1-yl)-2-nitro-N-(1-phenylethyl)aniline (CAS 430458-53-0), with molecular formula C19H24N4O2 and molecular weight 340.19 g/mol. IUPAC: 5-(4-methylpiperazin-1-yl)-2-nitro-N-(1-phenylethyl)aniline.
Chemical Property Profile of 5-(4-methylpiperazin-1-yl)-2-nitro-N-(1-phenylethyl)aniline
Property Insights of 5-(4-methylpiperazin-1-yl)-2-nitro-N-(1-phenylethyl)aniline
The XLogP value of 3.5197 indicates that 5-(4-methylpiperazin-1-yl)-2-nitro-N-(1-phenylethyl)aniline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 61.65 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(4-methylpiperazin-1-yl)-2-nitro-N-(1-phenylethyl)aniline. Following Lipinski's Rule of Five, 5-(4-methylpiperazin-1-yl)-2-nitro-N-(1-phenylethyl)aniline has 1 hydrogen bond donor(s) and 5 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-methylpiperazin-1-yl)-2-nitro-N-(1-phenylethyl)aniline?
The CAS number of 5-(4-methylpiperazin-1-yl)-2-nitro-N-(1-phenylethyl)aniline is 430458-53-0.
What is the molecular formula of 5-(4-methylpiperazin-1-yl)-2-nitro-N-(1-phenylethyl)aniline?
The molecular formula of 5-(4-methylpiperazin-1-yl)-2-nitro-N-(1-phenylethyl)aniline is C19H24N4O2.
What is the molecular weight of 5-(4-methylpiperazin-1-yl)-2-nitro-N-(1-phenylethyl)aniline?
The molecular weight of 5-(4-methylpiperazin-1-yl)-2-nitro-N-(1-phenylethyl)aniline is 340.19 g/mol.
Where can I buy 5-(4-methylpiperazin-1-yl)-2-nitro-N-(1-phenylethyl)aniline?
You can request a quote for 5-(4-methylpiperazin-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-methylpiperazin-1-yl)-2-nitro-N-(1-phenylethyl)aniline?
Yes, KEHONG BIO provides custom synthesis services for 5-(4-methylpiperazin-1-yl)-2-nitro-N-(1-phenylethyl)aniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.