N-(2,4-Dinitrophenyl)-m-toluidine
TL;DR: N-(2,4-Dinitrophenyl)-m-toluidine (CAS 964-79-4) is a chemical compound with molecular formula C13H11N3O4 and molecular weight 273.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(3-methylphenyl)-2,4-dinitroaniline
Also Known As: N-(3-Methylphenyl)-2,4-dinitroaniline, N-(m-Tolyl)-2,4-dinitro-aniline, N- -2,4-dinitroaniline, N-(2,4-DINITROPHENYL)-M-TOLUIDINE, 2,4-Dinitro-3'-methyldiphenylamine
| Molecular Formula | C13H11N3O4 |
|---|---|
| Molecular Weight | 273.07 g/mol |
| LogP | 4.1 |
| Topological Polar Surface Area | 104.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 273.07495 |
| Heavy Atoms | 20 |
| Complexity | 366.0 |
Chemical Identifiers
| CAS Number | 964-79-4 |
|---|---|
| SMILES | CC1=CC(=CC=C1)NC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-] |
| InChIKey | PKFVVWUEBWQRKF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
N-(2,4-Dinitrophenyl)-m-toluidine (CAS 964-79-4), with molecular formula C13H11N3O4 and molecular weight 273.07 g/mol. IUPAC: N-(3-methylphenyl)-2,4-dinitroaniline.
Chemical Property Profile of N-(2,4-Dinitrophenyl)-m-toluidine
Property Insights of N-(2,4-Dinitrophenyl)-m-toluidine
The XLogP value of 4.1 indicates that N-(2,4-Dinitrophenyl)-m-toluidine 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 N-(2,4-Dinitrophenyl)-m-toluidine. Following Lipinski's Rule of Five, N-(2,4-Dinitrophenyl)-m-toluidine 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-(2,4-Dinitrophenyl)-m-toluidine?
The CAS number of N-(2,4-Dinitrophenyl)-m-toluidine is 964-79-4.
What is the molecular formula of N-(2,4-Dinitrophenyl)-m-toluidine?
The molecular formula of N-(2,4-Dinitrophenyl)-m-toluidine is C13H11N3O4.
What is the molecular weight of N-(2,4-Dinitrophenyl)-m-toluidine?
The molecular weight of N-(2,4-Dinitrophenyl)-m-toluidine is 273.07 g/mol.
Where can I buy N-(2,4-Dinitrophenyl)-m-toluidine?
You can request a quote for N-(2,4-Dinitrophenyl)-m-toluidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(2,4-Dinitrophenyl)-m-toluidine?
Yes, KEHONG BIO provides custom synthesis services for N-(2,4-Dinitrophenyl)-m-toluidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.