N-(2-chlorobenzyl)-2,4-dinitroaniline
TL;DR: N-(2-chlorobenzyl)-2,4-dinitroaniline (CAS 855271-90-8) is a chemical compound with molecular formula C13H10ClN3O4 and molecular weight 307.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(2-chlorophenyl)methyl]-2,4-dinitroaniline
Also Known As: N-(2-chlorobenzyl)-2,4-dinitroaniline, (2-Chloro-benzyl)-(2,4-dinitro-phenyl)-amine
| Molecular Formula | C13H10ClN3O4 |
|---|---|
| Molecular Weight | 307.04 g/mol |
| LogP | 3.7685 |
| Topological Polar Surface Area | 98.31 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 307.03598 |
| Heavy Atoms | 21 |
| Complexity | 705.5658 |
Chemical Identifiers
| CAS Number | 855271-90-8 |
|---|---|
| SMILES | C1=CC=C(C(=C1)CNC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])Cl |
Product Overview
N-(2-chlorobenzyl)-2,4-dinitroaniline (CAS 855271-90-8), with molecular formula C13H10ClN3O4 and molecular weight 307.04 g/mol. IUPAC: N-[(2-chlorophenyl)methyl]-2,4-dinitroaniline.
Chemical Property Profile of N-(2-chlorobenzyl)-2,4-dinitroaniline
Property Insights of N-(2-chlorobenzyl)-2,4-dinitroaniline
The XLogP value of 3.7685 indicates that N-(2-chlorobenzyl)-2,4-dinitroaniline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 98.31 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(2-chlorobenzyl)-2,4-dinitroaniline. Following Lipinski's Rule of Five, N-(2-chlorobenzyl)-2,4-dinitroaniline has 1 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 N-(2-chlorobenzyl)-2,4-dinitroaniline?
The CAS number of N-(2-chlorobenzyl)-2,4-dinitroaniline is 855271-90-8.
What is the molecular formula of N-(2-chlorobenzyl)-2,4-dinitroaniline?
The molecular formula of N-(2-chlorobenzyl)-2,4-dinitroaniline is C13H10ClN3O4.
What is the molecular weight of N-(2-chlorobenzyl)-2,4-dinitroaniline?
The molecular weight of N-(2-chlorobenzyl)-2,4-dinitroaniline is 307.04 g/mol.
Where can I buy N-(2-chlorobenzyl)-2,4-dinitroaniline?
You can request a quote for N-(2-chlorobenzyl)-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-(2-chlorobenzyl)-2,4-dinitroaniline?
Yes, KEHONG BIO provides custom synthesis services for N-(2-chlorobenzyl)-2,4-dinitroaniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.