4-chloro-N-(2-ethoxybenzylidene)-3-nitroaniline
TL;DR: 4-chloro-N-(2-ethoxybenzylidene)-3-nitroaniline (CAS 5335-55-7) is a chemical compound with molecular formula C15H13ClN2O3 and molecular weight 304.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(4-chloro-3-nitrophenyl)-1-(2-ethoxyphenyl)methanimine
Also Known As: 4-chloro-N-(2-ethoxybenzylidene)-3-nitroaniline, AN-329/11378379, (4-chloro-3-nitrophenyl)(2-ethoxybenzylidene)amine, 4-chloro-n-[(e)-(2-ethoxyphenyl)methylene]-3-nitroaniline, N-(4-chloro-3-nitrophenyl)-1-(2-ethoxyphenyl)methanimine
| Molecular Formula | C15H13ClN2O3 |
|---|---|
| Molecular Weight | 304.06 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 67.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 304.06146 |
| Heavy Atoms | 21 |
| Complexity | 372.0 |
Chemical Identifiers
| CAS Number | 5335-55-7 |
|---|---|
| SMILES | CCOC1=CC=CC=C1C=NC2=CC(=C(C=C2)Cl)[N+](=O)[O-] |
| InChIKey | YXWLMSWVJWPGIJ-UHFFFAOYSA-N |
Product Overview
4-chloro-N-(2-ethoxybenzylidene)-3-nitroaniline (CAS 5335-55-7), with molecular formula C15H13ClN2O3 and molecular weight 304.06 g/mol. IUPAC: N-(4-chloro-3-nitrophenyl)-1-(2-ethoxyphenyl)methanimine.
Chemical Property Profile of 4-chloro-N-(2-ethoxybenzylidene)-3-nitroaniline
Property Insights of 4-chloro-N-(2-ethoxybenzylidene)-3-nitroaniline
The XLogP value of 4.0 indicates that 4-chloro-N-(2-ethoxybenzylidene)-3-nitroaniline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 67.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-chloro-N-(2-ethoxybenzylidene)-3-nitroaniline. Following Lipinski's Rule of Five, 4-chloro-N-(2-ethoxybenzylidene)-3-nitroaniline has 0 hydrogen bond donor(s) and 4 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-chloro-N-(2-ethoxybenzylidene)-3-nitroaniline?
The CAS number of 4-chloro-N-(2-ethoxybenzylidene)-3-nitroaniline is 5335-55-7.
What is the molecular formula of 4-chloro-N-(2-ethoxybenzylidene)-3-nitroaniline?
The molecular formula of 4-chloro-N-(2-ethoxybenzylidene)-3-nitroaniline is C15H13ClN2O3.
What is the molecular weight of 4-chloro-N-(2-ethoxybenzylidene)-3-nitroaniline?
The molecular weight of 4-chloro-N-(2-ethoxybenzylidene)-3-nitroaniline is 304.06 g/mol.
Where can I buy 4-chloro-N-(2-ethoxybenzylidene)-3-nitroaniline?
You can request a quote for 4-chloro-N-(2-ethoxybenzylidene)-3-nitroaniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-chloro-N-(2-ethoxybenzylidene)-3-nitroaniline?
Yes, KEHONG BIO provides custom synthesis services for 4-chloro-N-(2-ethoxybenzylidene)-3-nitroaniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.