4-benzyl-N-(4-chloro-3-nitrobenzylidene)-1-piperazinamine
TL;DR: 4-benzyl-N-(4-chloro-3-nitrobenzylidene)-1-piperazinamine (CAS 497082-92-5) is a chemical compound with molecular formula C18H19ClN4O2 and molecular weight 358.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-N-(4-benzylpiperazin-1-yl)-1-(4-chloro-3-nitrophenyl)methanimine
Also Known As: 4-benzyl-N-(4-chloro-3-nitrobenzylidene)-1-piperazinamine, (E)-4-benzyl-N-(4-chloro-3-nitrobenzylidene)piperazin-1-amine, 4-benzyl-N-[(E)-(4-chloro-3-nitrophenyl)methylidene]piperazin-1-amine, N-(4-benzylpiperazin-1-yl)-1-(4-chloro-3-nitro-phenyl)methanimine, N-(4-benzylpiperazin-1-yl)-1-(4-chloro-3-nitrophenyl)methanimine
| Molecular Formula | C18H19ClN4O2 |
|---|---|
| Molecular Weight | 358.12 g/mol |
| LogP | 3.3999 |
| Topological Polar Surface Area | 61.98 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 358.11966 |
| Heavy Atoms | 25 |
| Complexity | 758.92633 |
Chemical Identifiers
| CAS Number | 497082-92-5 |
|---|---|
| SMILES | C1CN(CCN1CC2=CC=CC=C2)/N=C/C3=CC(=C(C=C3)Cl)[N+](=O)[O-] |
Product Overview
4-benzyl-N-(4-chloro-3-nitrobenzylidene)-1-piperazinamine (CAS 497082-92-5), with molecular formula C18H19ClN4O2 and molecular weight 358.12 g/mol. IUPAC: (E)-N-(4-benzylpiperazin-1-yl)-1-(4-chloro-3-nitrophenyl)methanimine.
Chemical Property Profile of 4-benzyl-N-(4-chloro-3-nitrobenzylidene)-1-piperazinamine
Property Insights of 4-benzyl-N-(4-chloro-3-nitrobenzylidene)-1-piperazinamine
The XLogP value of 3.3999 indicates that 4-benzyl-N-(4-chloro-3-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-benzyl-N-(4-chloro-3-nitrobenzylidene)-1-piperazinamine. Following Lipinski's Rule of Five, 4-benzyl-N-(4-chloro-3-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-benzyl-N-(4-chloro-3-nitrobenzylidene)-1-piperazinamine?
The CAS number of 4-benzyl-N-(4-chloro-3-nitrobenzylidene)-1-piperazinamine is 497082-92-5.
What is the molecular formula of 4-benzyl-N-(4-chloro-3-nitrobenzylidene)-1-piperazinamine?
The molecular formula of 4-benzyl-N-(4-chloro-3-nitrobenzylidene)-1-piperazinamine is C18H19ClN4O2.
What is the molecular weight of 4-benzyl-N-(4-chloro-3-nitrobenzylidene)-1-piperazinamine?
The molecular weight of 4-benzyl-N-(4-chloro-3-nitrobenzylidene)-1-piperazinamine is 358.12 g/mol.
Where can I buy 4-benzyl-N-(4-chloro-3-nitrobenzylidene)-1-piperazinamine?
You can request a quote for 4-benzyl-N-(4-chloro-3-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-benzyl-N-(4-chloro-3-nitrobenzylidene)-1-piperazinamine?
Yes, KEHONG BIO provides custom synthesis services for 4-benzyl-N-(4-chloro-3-nitrobenzylidene)-1-piperazinamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.