2,4-Dinitro-2'-methyldiphenylamine
TL;DR: 2,4-Dinitro-2'-methyldiphenylamine (CAS 964-75-0) 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-(2-methylphenyl)-2,4-dinitroaniline
Also Known As: N-(2-Methylphenyl)-2,4-dinitroaniline, 2,4-Dinitro-N-(o-tolyl)aniline, N-(2,4-Dinitrophenyl)-O-toluidine, (2,4-Dinitro-phenyl)-o-tolyl-amine, 2 -Methyl-2,4-dinitrodiphenylamine
| Molecular Formula | C13H11N3O4 |
|---|---|
| Molecular Weight | 273.07 g/mol |
| LogP | 4.0 |
| 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 | 964-75-0 |
|---|---|
| SMILES | CC1=CC=CC=C1NC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-] |
| InChIKey | OPGDEODYIMUSCO-UHFFFAOYSA-N |
Product Overview
2,4-Dinitro-2'-methyldiphenylamine (CAS 964-75-0), with molecular formula C13H11N3O4 and molecular weight 273.07 g/mol. IUPAC: N-(2-methylphenyl)-2,4-dinitroaniline.
Chemical Property Profile of 2,4-Dinitro-2'-methyldiphenylamine
Property Insights of 2,4-Dinitro-2'-methyldiphenylamine
The XLogP value of 4.0 indicates that 2,4-Dinitro-2'-methyldiphenylamine 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 2,4-Dinitro-2'-methyldiphenylamine. Following Lipinski's Rule of Five, 2,4-Dinitro-2'-methyldiphenylamine 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 2,4-Dinitro-2'-methyldiphenylamine?
The CAS number of 2,4-Dinitro-2'-methyldiphenylamine is 964-75-0.
What is the molecular formula of 2,4-Dinitro-2'-methyldiphenylamine?
The molecular formula of 2,4-Dinitro-2'-methyldiphenylamine is C13H11N3O4.
What is the molecular weight of 2,4-Dinitro-2'-methyldiphenylamine?
The molecular weight of 2,4-Dinitro-2'-methyldiphenylamine is 273.07 g/mol.
Where can I buy 2,4-Dinitro-2'-methyldiphenylamine?
You can request a quote for 2,4-Dinitro-2'-methyldiphenylamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,4-Dinitro-2'-methyldiphenylamine?
Yes, KEHONG BIO provides custom synthesis services for 2,4-Dinitro-2'-methyldiphenylamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.