N~1~-(2,4-dinitrophenyl)-1,2-benzenediamine
TL;DR: N~1~-(2,4-dinitrophenyl)-1,2-benzenediamine (CAS 964-78-3) 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.
2-N-(2,4-dinitrophenyl)benzene-1,2-diamine
Also Known As: N1-(2,4-Dinitrophenyl)benzene-1,2-diamine, N~1~-(2,4-dinitrophenyl)-1,2-benzenediamine, 2-N-(2,4-dinitrophenyl)benzene-1,2-diamine, N-2-Aminophenyl-2,4-dinitroaniline, N2-(2,4-dinitrophenyl)benzene-1,2-diamine
| Molecular Formula | C12H10N4O4 |
|---|---|
| Molecular Weight | 274.07 g/mol |
| LogP | 2.8288 |
| Topological Polar Surface Area | 124.33 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 274.0702 |
| Heavy Atoms | 20 |
| Complexity | 686.9076 |
Chemical Identifiers
| CAS Number | 964-78-3 |
|---|---|
| SMILES | C1=CC=C(C(=C1)N)NC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-] |
Product Overview
N~1~-(2,4-dinitrophenyl)-1,2-benzenediamine (CAS 964-78-3), with molecular formula C12H10N4O4 and molecular weight 274.07 g/mol. IUPAC: 2-N-(2,4-dinitrophenyl)benzene-1,2-diamine.
Chemical Property Profile of N~1~-(2,4-dinitrophenyl)-1,2-benzenediamine
Property Insights of N~1~-(2,4-dinitrophenyl)-1,2-benzenediamine
The XLogP value of 2.8288 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N~1~-(2,4-dinitrophenyl)-1,2-benzenediamine. The TPSA of 124.33 Ų falls within the moderate polarity range, balancing permeability and solubility for N~1~-(2,4-dinitrophenyl)-1,2-benzenediamine. Following Lipinski's Rule of Five, N~1~-(2,4-dinitrophenyl)-1,2-benzenediamine 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~1~-(2,4-dinitrophenyl)-1,2-benzenediamine?
The CAS number of N~1~-(2,4-dinitrophenyl)-1,2-benzenediamine is 964-78-3.
What is the molecular formula of N~1~-(2,4-dinitrophenyl)-1,2-benzenediamine?
The molecular formula of N~1~-(2,4-dinitrophenyl)-1,2-benzenediamine is C12H10N4O4.
What is the molecular weight of N~1~-(2,4-dinitrophenyl)-1,2-benzenediamine?
The molecular weight of N~1~-(2,4-dinitrophenyl)-1,2-benzenediamine is 274.07 g/mol.
Where can I buy N~1~-(2,4-dinitrophenyl)-1,2-benzenediamine?
You can request a quote for N~1~-(2,4-dinitrophenyl)-1,2-benzenediamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N~1~-(2,4-dinitrophenyl)-1,2-benzenediamine?
Yes, KEHONG BIO provides custom synthesis services for N~1~-(2,4-dinitrophenyl)-1,2-benzenediamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.