2,3',4,6-Tetranitrodiphenylamine
TL;DR: 2,3',4,6-Tetranitrodiphenylamine (CAS 38417-96-8) 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.
2,4,6-trinitro-N-(3-nitrophenyl)aniline
Also Known As: 2,3',4,6-Tetranitrodiphenylamine, 1-Butyl-4-hydroxypiperidine, 2,4,6-Trinitro-N-(3-nitrophenyl)aniline, 2,3 ,4,6-Tetranitrodiphenylamine, N-(3-nitrophenyl)-2,4,6-trinitroaniline
| Molecular Formula | C12H7N5O8 |
|---|---|
| Molecular Weight | 349.03 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 195.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 2 |
| Exact Mass | 349.02945 |
| Heavy Atoms | 25 |
| Complexity | 526.0 |
Chemical Identifiers
| CAS Number | 38417-96-8 |
|---|---|
| SMILES | C1=CC(=CC(=C1)[N+](=O)[O-])NC2=C(C=C(C=C2[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-] |
| InChIKey | QYIFJMJFFSIGIN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,3',4,6-Tetranitrodiphenylamine (CAS 38417-96-8), with molecular formula C12H7N5O8 and molecular weight 349.03 g/mol. IUPAC: 2,4,6-trinitro-N-(3-nitrophenyl)aniline.
Chemical Property Profile of 2,3',4,6-Tetranitrodiphenylamine
Property Insights of 2,3',4,6-Tetranitrodiphenylamine
The XLogP value of 3.3 indicates that 2,3',4,6-Tetranitrodiphenylamine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 195.0 Ų indicates high polarity, suggesting 2,3',4,6-Tetranitrodiphenylamine may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2,3',4,6-Tetranitrodiphenylamine 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 2,3',4,6-Tetranitrodiphenylamine?
The CAS number of 2,3',4,6-Tetranitrodiphenylamine is 38417-96-8.
What is the molecular formula of 2,3',4,6-Tetranitrodiphenylamine?
The molecular formula of 2,3',4,6-Tetranitrodiphenylamine is C12H7N5O8.
What is the molecular weight of 2,3',4,6-Tetranitrodiphenylamine?
The molecular weight of 2,3',4,6-Tetranitrodiphenylamine is 349.03 g/mol.
Where can I buy 2,3',4,6-Tetranitrodiphenylamine?
You can request a quote for 2,3',4,6-Tetranitrodiphenylamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,3',4,6-Tetranitrodiphenylamine?
Yes, KEHONG BIO provides custom synthesis services for 2,3',4,6-Tetranitrodiphenylamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.