N-(3-chloro-4-methoxybenzyl)-2,4-dinitroaniline
TL;DR: N-(3-chloro-4-methoxybenzyl)-2,4-dinitroaniline (CAS 478259-76-6) is a chemical compound with molecular formula C14H12ClN3O5 and molecular weight 337.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(3-chloro-4-methoxyphenyl)methyl]-2,4-dinitroaniline
Also Known As: N-(3-chloro-4-methoxybenzyl)-2,4-dinitroaniline, N-[(3-chloro-4-methoxyphenyl)methyl]-2,4-dinitroaniline, 8R-0339, N-[(3-chloro-4-methoxy-phenyl)methyl]-2,4-dinitro-aniline
| Molecular Formula | C14H12ClN3O5 |
|---|---|
| Molecular Weight | 337.05 g/mol |
| LogP | 3.7771 |
| Topological Polar Surface Area | 107.54 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 337.04654 |
| Heavy Atoms | 23 |
| Complexity | 766.0731 |
Chemical Identifiers
| CAS Number | 478259-76-6 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)CNC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])Cl |
Product Overview
N-(3-chloro-4-methoxybenzyl)-2,4-dinitroaniline (CAS 478259-76-6), with molecular formula C14H12ClN3O5 and molecular weight 337.05 g/mol. IUPAC: N-[(3-chloro-4-methoxyphenyl)methyl]-2,4-dinitroaniline.
Chemical Property Profile of N-(3-chloro-4-methoxybenzyl)-2,4-dinitroaniline
Property Insights of N-(3-chloro-4-methoxybenzyl)-2,4-dinitroaniline
The XLogP value of 3.7771 indicates that N-(3-chloro-4-methoxybenzyl)-2,4-dinitroaniline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 107.54 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(3-chloro-4-methoxybenzyl)-2,4-dinitroaniline. Following Lipinski's Rule of Five, N-(3-chloro-4-methoxybenzyl)-2,4-dinitroaniline has 1 hydrogen bond donor(s) and 6 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-(3-chloro-4-methoxybenzyl)-2,4-dinitroaniline?
The CAS number of N-(3-chloro-4-methoxybenzyl)-2,4-dinitroaniline is 478259-76-6.
What is the molecular formula of N-(3-chloro-4-methoxybenzyl)-2,4-dinitroaniline?
The molecular formula of N-(3-chloro-4-methoxybenzyl)-2,4-dinitroaniline is C14H12ClN3O5.
What is the molecular weight of N-(3-chloro-4-methoxybenzyl)-2,4-dinitroaniline?
The molecular weight of N-(3-chloro-4-methoxybenzyl)-2,4-dinitroaniline is 337.05 g/mol.
Where can I buy N-(3-chloro-4-methoxybenzyl)-2,4-dinitroaniline?
You can request a quote for N-(3-chloro-4-methoxybenzyl)-2,4-dinitroaniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(3-chloro-4-methoxybenzyl)-2,4-dinitroaniline?
Yes, KEHONG BIO provides custom synthesis services for N-(3-chloro-4-methoxybenzyl)-2,4-dinitroaniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.