5-chloro-N-(4-methylphenyl)-2,4-dinitroaniline
TL;DR: 5-chloro-N-(4-methylphenyl)-2,4-dinitroaniline (CAS 7508-49-8) 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.
5-chloro-N-(4-methylphenyl)-2,4-dinitroaniline
Also Known As: NCIOpen2_007515, NIOSH/XU5145000, 5-chloro-N-(4-methylphenyl)-2,4-dinitroaniline, N-(5-Chloro-2,4-dinitrophenyl)-p-toluidine, p-Toluidine, N-(5-chloro-2,4-dinitrophenyl)-
| Molecular Formula | C13H10ClN3O4 |
|---|---|
| Molecular Weight | 307.04 g/mol |
| LogP | 4.7 |
| Topological Polar Surface Area | 104.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 307.03598 |
| Heavy Atoms | 21 |
| Complexity | 390.0 |
Chemical Identifiers
| CAS Number | 7508-49-8 |
|---|---|
| SMILES | CC1=CC=C(C=C1)NC2=CC(=C(C=C2[N+](=O)[O-])[N+](=O)[O-])Cl |
| InChIKey | DLFBAMLAMJKMDK-UHFFFAOYSA-N |
Product Overview
5-chloro-N-(4-methylphenyl)-2,4-dinitroaniline (CAS 7508-49-8), with molecular formula C13H10ClN3O4 and molecular weight 307.04 g/mol. IUPAC: 5-chloro-N-(4-methylphenyl)-2,4-dinitroaniline.
Chemical Property Profile of 5-chloro-N-(4-methylphenyl)-2,4-dinitroaniline
Property Insights of 5-chloro-N-(4-methylphenyl)-2,4-dinitroaniline
The XLogP value of 4.7 indicates that 5-chloro-N-(4-methylphenyl)-2,4-dinitroaniline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 104.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-chloro-N-(4-methylphenyl)-2,4-dinitroaniline. Following Lipinski's Rule of Five, 5-chloro-N-(4-methylphenyl)-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 5-chloro-N-(4-methylphenyl)-2,4-dinitroaniline?
The CAS number of 5-chloro-N-(4-methylphenyl)-2,4-dinitroaniline is 7508-49-8.
What is the molecular formula of 5-chloro-N-(4-methylphenyl)-2,4-dinitroaniline?
The molecular formula of 5-chloro-N-(4-methylphenyl)-2,4-dinitroaniline is C13H10ClN3O4.
What is the molecular weight of 5-chloro-N-(4-methylphenyl)-2,4-dinitroaniline?
The molecular weight of 5-chloro-N-(4-methylphenyl)-2,4-dinitroaniline is 307.04 g/mol.
Where can I buy 5-chloro-N-(4-methylphenyl)-2,4-dinitroaniline?
You can request a quote for 5-chloro-N-(4-methylphenyl)-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 5-chloro-N-(4-methylphenyl)-2,4-dinitroaniline?
Yes, KEHONG BIO provides custom synthesis services for 5-chloro-N-(4-methylphenyl)-2,4-dinitroaniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.