N-(2,6-Dinitrophenyl)-2,4-dinitroaniline
TL;DR: N-(2,6-Dinitrophenyl)-2,4-dinitroaniline (CAS 40411-76-5) is a chemical compound with molecular formula C12H7N5O8 and molecular weight 349.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(2,4-dinitrophenyl)-2,6-dinitroaniline
Also Known As: N-(2,6-Dinitrophenyl)-2,4-dinitroaniline, EINECS 254-908-9, 2,2',4,6'-Tetranitrodiphenylamine, N-(2,4-dinitrophenyl)-2,6-dinitroaniline, N-(2,6-Dinitrophenyl)-2,4-dinitrobenzenamine
| Molecular Formula | C12H7N5O8 |
|---|---|
| Molecular Weight | 349.03 g/mol |
| LogP | 3.063 |
| Topological Polar Surface Area | 184.59 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 6 |
| Exact Mass | 349.02945 |
| Heavy Atoms | 25 |
| Complexity | 880.1237 |
Chemical Identifiers
| CAS Number | 40411-76-5 |
|---|---|
| SMILES | C1=CC(=C(C(=C1)[N+](=O)[O-])NC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-] |
Product Overview
N-(2,6-Dinitrophenyl)-2,4-dinitroaniline (CAS 40411-76-5), with molecular formula C12H7N5O8 and molecular weight 349.03 g/mol. IUPAC: N-(2,4-dinitrophenyl)-2,6-dinitroaniline.
Chemical Property Profile of N-(2,6-Dinitrophenyl)-2,4-dinitroaniline
Property Insights of N-(2,6-Dinitrophenyl)-2,4-dinitroaniline
The XLogP value of 3.063 indicates that N-(2,6-Dinitrophenyl)-2,4-dinitroaniline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 184.59 Ų indicates high polarity, suggesting N-(2,6-Dinitrophenyl)-2,4-dinitroaniline may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, N-(2,6-Dinitrophenyl)-2,4-dinitroaniline has 1 hydrogen bond donor(s) and 9 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-(2,6-Dinitrophenyl)-2,4-dinitroaniline?
The CAS number of N-(2,6-Dinitrophenyl)-2,4-dinitroaniline is 40411-76-5.
What is the molecular formula of N-(2,6-Dinitrophenyl)-2,4-dinitroaniline?
The molecular formula of N-(2,6-Dinitrophenyl)-2,4-dinitroaniline is C12H7N5O8.
What is the molecular weight of N-(2,6-Dinitrophenyl)-2,4-dinitroaniline?
The molecular weight of N-(2,6-Dinitrophenyl)-2,4-dinitroaniline is 349.03 g/mol.
Where can I buy N-(2,6-Dinitrophenyl)-2,4-dinitroaniline?
You can request a quote for N-(2,6-Dinitrophenyl)-2,4-dinitroaniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(2,6-Dinitrophenyl)-2,4-dinitroaniline?
Yes, KEHONG BIO provides custom synthesis services for N-(2,6-Dinitrophenyl)-2,4-dinitroaniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.