N-(4-Benzyloxybenzylidene)-3-nitroaniline
TL;DR: N-(4-Benzyloxybenzylidene)-3-nitroaniline (CAS 70627-53-1) is a chemical compound with molecular formula C20H16N2O3 and molecular weight 332.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(3-nitrophenyl)-1-(4-phenylmethoxyphenyl)methanimine
Also Known As: N-(4-BENZYLOXYBENZYLIDENE)-3-NITROANILINE, N-(3-nitrophenyl)-1-(4-phenylmethoxyphenyl)methanimine, 667-048-8, RefChem:827146
| Molecular Formula | C20H16N2O3 |
|---|---|
| Molecular Weight | 332.12 g/mol |
| LogP | 4.9244 |
| Topological Polar Surface Area | 64.73 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 332.1161 |
| Heavy Atoms | 25 |
| Complexity | 874.9578 |
Chemical Identifiers
| CAS Number | 70627-53-1 |
|---|---|
| SMILES | C1=CC=C(C=C1)COC2=CC=C(C=C2)C=NC3=CC(=CC=C3)[N+](=O)[O-] |
Product Overview
N-(4-Benzyloxybenzylidene)-3-nitroaniline (CAS 70627-53-1), with molecular formula C20H16N2O3 and molecular weight 332.12 g/mol. IUPAC: N-(3-nitrophenyl)-1-(4-phenylmethoxyphenyl)methanimine.
Chemical Property Profile of N-(4-Benzyloxybenzylidene)-3-nitroaniline
Property Insights of N-(4-Benzyloxybenzylidene)-3-nitroaniline
The XLogP value of 4.9244 indicates that N-(4-Benzyloxybenzylidene)-3-nitroaniline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 64.73 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(4-Benzyloxybenzylidene)-3-nitroaniline. Following Lipinski's Rule of Five, N-(4-Benzyloxybenzylidene)-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 N-(4-Benzyloxybenzylidene)-3-nitroaniline?
The CAS number of N-(4-Benzyloxybenzylidene)-3-nitroaniline is 70627-53-1.
What is the molecular formula of N-(4-Benzyloxybenzylidene)-3-nitroaniline?
The molecular formula of N-(4-Benzyloxybenzylidene)-3-nitroaniline is C20H16N2O3.
What is the molecular weight of N-(4-Benzyloxybenzylidene)-3-nitroaniline?
The molecular weight of N-(4-Benzyloxybenzylidene)-3-nitroaniline is 332.12 g/mol.
Where can I buy N-(4-Benzyloxybenzylidene)-3-nitroaniline?
You can request a quote for N-(4-Benzyloxybenzylidene)-3-nitroaniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(4-Benzyloxybenzylidene)-3-nitroaniline?
Yes, KEHONG BIO provides custom synthesis services for N-(4-Benzyloxybenzylidene)-3-nitroaniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.