N-(2,4,6-Trinitrophenyl)-O-phenylenediamine
TL;DR: N-(2,4,6-Trinitrophenyl)-O-phenylenediamine (CAS 105049-03-4) is a chemical compound with molecular formula C12H9N5O6 and molecular weight 319.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-N-(2,4,6-trinitrophenyl)benzene-1,2-diamine
Also Known As: N-Picryl-o-phenylenediamine, N-(2,4,6-Trinitrophenyl)-O-phenylenediamine, 2-N-(2,4,6-trinitrophenyl)benzene-1,2-diamine, 2-amino-2',4',6'-trinitrodiphenylamine, N-(2,4,6-Trinitrophenyl)-1,2-phenylenediamine
| Molecular Formula | C12H9N5O6 |
|---|---|
| Molecular Weight | 319.06 g/mol |
| LogP | 2.737 |
| Topological Polar Surface Area | 167.47 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 319.0553 |
| Heavy Atoms | 23 |
| Complexity | 786.33374 |
Chemical Identifiers
| CAS Number | 105049-03-4 |
|---|---|
| SMILES | C1=CC=C(C(=C1)N)NC2=C(C=C(C=C2[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-] |
Product Overview
N-(2,4,6-Trinitrophenyl)-O-phenylenediamine (CAS 105049-03-4), with molecular formula C12H9N5O6 and molecular weight 319.06 g/mol. IUPAC: 2-N-(2,4,6-trinitrophenyl)benzene-1,2-diamine.
Chemical Property Profile of N-(2,4,6-Trinitrophenyl)-O-phenylenediamine
Property Insights of N-(2,4,6-Trinitrophenyl)-O-phenylenediamine
The XLogP value of 2.737 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(2,4,6-Trinitrophenyl)-O-phenylenediamine. The TPSA of 167.47 Ų indicates high polarity, suggesting N-(2,4,6-Trinitrophenyl)-O-phenylenediamine may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, N-(2,4,6-Trinitrophenyl)-O-phenylenediamine has 2 hydrogen bond donor(s) and 8 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-(2,4,6-Trinitrophenyl)-O-phenylenediamine?
The CAS number of N-(2,4,6-Trinitrophenyl)-O-phenylenediamine is 105049-03-4.
What is the molecular formula of N-(2,4,6-Trinitrophenyl)-O-phenylenediamine?
The molecular formula of N-(2,4,6-Trinitrophenyl)-O-phenylenediamine is C12H9N5O6.
What is the molecular weight of N-(2,4,6-Trinitrophenyl)-O-phenylenediamine?
The molecular weight of N-(2,4,6-Trinitrophenyl)-O-phenylenediamine is 319.06 g/mol.
Where can I buy N-(2,4,6-Trinitrophenyl)-O-phenylenediamine?
You can request a quote for N-(2,4,6-Trinitrophenyl)-O-phenylenediamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(2,4,6-Trinitrophenyl)-O-phenylenediamine?
Yes, KEHONG BIO provides custom synthesis services for N-(2,4,6-Trinitrophenyl)-O-phenylenediamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.