2,4-Dinitro-N-(4-nitrophenyl)aniline
TL;DR: 2,4-Dinitro-N-(4-nitrophenyl)aniline (CAS 970-76-3) is a chemical compound with molecular formula C12H8N4O6 and molecular weight 304.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,4-dinitro-N-(4-nitrophenyl)aniline
Also Known As: 2,4-Dinitro-N-(4-nitrophenyl)aniline, 2,4,4'-trinitro diphenylamine, N-(4-Nitrophenyl)-2,4-dinitroaniline, N1-(4-nitrophenyl)-2,4-dinitroaniline, 4-Nitrophenyl(2,4-dinitrophenyl)amine
| Molecular Formula | C12H8N4O6 |
|---|---|
| Molecular Weight | 304.04 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 149.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 2 |
| Exact Mass | 304.04437 |
| Heavy Atoms | 22 |
| Complexity | 434.0 |
Chemical Identifiers
| CAS Number | 970-76-3 |
|---|---|
| SMILES | C1=CC(=CC=C1NC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-] |
| InChIKey | MQZAHSOZWFOSGD-UHFFFAOYSA-N |
Product Overview
2,4-Dinitro-N-(4-nitrophenyl)aniline (CAS 970-76-3), with molecular formula C12H8N4O6 and molecular weight 304.04 g/mol. IUPAC: 2,4-dinitro-N-(4-nitrophenyl)aniline.
Chemical Property Profile of 2,4-Dinitro-N-(4-nitrophenyl)aniline
Property Insights of 2,4-Dinitro-N-(4-nitrophenyl)aniline
The XLogP value of 3.6 indicates that 2,4-Dinitro-N-(4-nitrophenyl)aniline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 149.0 Ų indicates high polarity, suggesting 2,4-Dinitro-N-(4-nitrophenyl)aniline may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2,4-Dinitro-N-(4-nitrophenyl)aniline has 1 hydrogen bond donor(s) and 7 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-N-(4-nitrophenyl)aniline?
The CAS number of 2,4-Dinitro-N-(4-nitrophenyl)aniline is 970-76-3.
What is the molecular formula of 2,4-Dinitro-N-(4-nitrophenyl)aniline?
The molecular formula of 2,4-Dinitro-N-(4-nitrophenyl)aniline is C12H8N4O6.
What is the molecular weight of 2,4-Dinitro-N-(4-nitrophenyl)aniline?
The molecular weight of 2,4-Dinitro-N-(4-nitrophenyl)aniline is 304.04 g/mol.
Where can I buy 2,4-Dinitro-N-(4-nitrophenyl)aniline?
You can request a quote for 2,4-Dinitro-N-(4-nitrophenyl)aniline 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-N-(4-nitrophenyl)aniline?
Yes, KEHONG BIO provides custom synthesis services for 2,4-Dinitro-N-(4-nitrophenyl)aniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.