4-(4-Methylbenzyl)-N-(2-nitrobenzylidene)-1-piperazinamine
TL;DR: 4-(4-Methylbenzyl)-N-(2-nitrobenzylidene)-1-piperazinamine (CAS 306988-46-5) is a chemical compound with molecular formula C19H22N4O2 and molecular weight 338.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-N-[4-[(4-methylphenyl)methyl]piperazin-1-yl]-1-(2-nitrophenyl)methanimine
Also Known As: N-[4-[(4-methylphenyl)methyl]piperazin-1-yl]-1-(2-nitrophenyl)methanimine, (E)-4-(4-methylbenzyl)-N-(2-nitrobenzylidene)piperazin-1-amine, 4-(4-METHYLBENZYL)-N-(2-NITROBENZYLIDENE)-1-PIPERAZINAMINE, 4-(4-methylbenzyl)-N-[(E)-(2-nitrophenyl)methylidene]piperazin-1-amine
| Molecular Formula | C19H22N4O2 |
|---|---|
| Molecular Weight | 338.17 g/mol |
| LogP | 3.05492 |
| Topological Polar Surface Area | 61.98 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 338.1743 |
| Heavy Atoms | 25 |
| Complexity | 750.27435 |
Chemical Identifiers
| CAS Number | 306988-46-5 |
|---|---|
| SMILES | CC1=CC=C(C=C1)CN2CCN(CC2)/N=C/C3=CC=CC=C3[N+](=O)[O-] |
Product Overview
4-(4-Methylbenzyl)-N-(2-nitrobenzylidene)-1-piperazinamine (CAS 306988-46-5), with molecular formula C19H22N4O2 and molecular weight 338.17 g/mol. IUPAC: (E)-N-[4-[(4-methylphenyl)methyl]piperazin-1-yl]-1-(2-nitrophenyl)methanimine.
Chemical Property Profile of 4-(4-Methylbenzyl)-N-(2-nitrobenzylidene)-1-piperazinamine
Property Insights of 4-(4-Methylbenzyl)-N-(2-nitrobenzylidene)-1-piperazinamine
The XLogP value of 3.05492 indicates that 4-(4-Methylbenzyl)-N-(2-nitrobenzylidene)-1-piperazinamine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 61.98 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(4-Methylbenzyl)-N-(2-nitrobenzylidene)-1-piperazinamine. Following Lipinski's Rule of Five, 4-(4-Methylbenzyl)-N-(2-nitrobenzylidene)-1-piperazinamine has 0 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 4-(4-Methylbenzyl)-N-(2-nitrobenzylidene)-1-piperazinamine?
The CAS number of 4-(4-Methylbenzyl)-N-(2-nitrobenzylidene)-1-piperazinamine is 306988-46-5.
What is the molecular formula of 4-(4-Methylbenzyl)-N-(2-nitrobenzylidene)-1-piperazinamine?
The molecular formula of 4-(4-Methylbenzyl)-N-(2-nitrobenzylidene)-1-piperazinamine is C19H22N4O2.
What is the molecular weight of 4-(4-Methylbenzyl)-N-(2-nitrobenzylidene)-1-piperazinamine?
The molecular weight of 4-(4-Methylbenzyl)-N-(2-nitrobenzylidene)-1-piperazinamine is 338.17 g/mol.
Where can I buy 4-(4-Methylbenzyl)-N-(2-nitrobenzylidene)-1-piperazinamine?
You can request a quote for 4-(4-Methylbenzyl)-N-(2-nitrobenzylidene)-1-piperazinamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(4-Methylbenzyl)-N-(2-nitrobenzylidene)-1-piperazinamine?
Yes, KEHONG BIO provides custom synthesis services for 4-(4-Methylbenzyl)-N-(2-nitrobenzylidene)-1-piperazinamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.