N-(2,4-Dinitrophenyl)-m-phenylenediamine
TL;DR: N-(2,4-Dinitrophenyl)-m-phenylenediamine (CAS 101927-38-2) is a chemical compound with molecular formula C12H10N4O4 and molecular weight 274.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-N-(2,4-dinitrophenyl)benzene-1,3-diamine
Also Known As: N-(2,4-Dinitrophenyl)-m-phenylenediamine, 3-N-(2,4-dinitrophenyl)benzene-1,3-diamine, N-(2,4-dinitro-phenyl)-m-phenylenediamine, N-(3-Aminophenyl)-2,4-dinitroaniline, N~1~-(2,4-dinitrophenyl)-1,3-benzenediamine
| Molecular Formula | C12H10N4O4 |
|---|---|
| Molecular Weight | 274.07 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 130.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 274.0702 |
| Heavy Atoms | 20 |
| Complexity | 367.0 |
Chemical Identifiers
| CAS Number | 101927-38-2 |
|---|---|
| SMILES | C1=CC(=CC(=C1)NC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])N |
| InChIKey | SGIPQDRUGJXJNC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
N-(2,4-Dinitrophenyl)-m-phenylenediamine (CAS 101927-38-2), with molecular formula C12H10N4O4 and molecular weight 274.07 g/mol. IUPAC: 3-N-(2,4-dinitrophenyl)benzene-1,3-diamine.
Chemical Property Profile of N-(2,4-Dinitrophenyl)-m-phenylenediamine
Property Insights of N-(2,4-Dinitrophenyl)-m-phenylenediamine
The XLogP value of 3.1 indicates that N-(2,4-Dinitrophenyl)-m-phenylenediamine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 130.0 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(2,4-Dinitrophenyl)-m-phenylenediamine. Following Lipinski's Rule of Five, N-(2,4-Dinitrophenyl)-m-phenylenediamine has 2 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-(2,4-Dinitrophenyl)-m-phenylenediamine?
The CAS number of N-(2,4-Dinitrophenyl)-m-phenylenediamine is 101927-38-2.
What is the molecular formula of N-(2,4-Dinitrophenyl)-m-phenylenediamine?
The molecular formula of N-(2,4-Dinitrophenyl)-m-phenylenediamine is C12H10N4O4.
What is the molecular weight of N-(2,4-Dinitrophenyl)-m-phenylenediamine?
The molecular weight of N-(2,4-Dinitrophenyl)-m-phenylenediamine is 274.07 g/mol.
Where can I buy N-(2,4-Dinitrophenyl)-m-phenylenediamine?
You can request a quote for N-(2,4-Dinitrophenyl)-m-phenylenediamine 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-phenylenediamine?
Yes, KEHONG BIO provides custom synthesis services for N-(2,4-Dinitrophenyl)-m-phenylenediamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.