4'-Phenoxy-2,4,6-trinitrodiphenylamine
TL;DR: 4'-Phenoxy-2,4,6-trinitrodiphenylamine (CAS 143424-67-3) is a chemical compound with molecular formula C18H12N4O7 and molecular weight 396.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,4,6-trinitro-N-(4-phenoxyphenyl)aniline
Also Known As: 4'-PHENOXY-2,4,6-TRINITRODIPHENYLAMINE, 2,4,6-trinitro-N-(4-phenoxyphenyl)aniline, 665-390-2, RefChem:506237
| Molecular Formula | C18H12N4O7 |
|---|---|
| Molecular Weight | 396.07 g/mol |
| LogP | 4.9471 |
| Topological Polar Surface Area | 150.68 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 396.0706 |
| Heavy Atoms | 29 |
| Complexity | 1050.1187 |
Chemical Identifiers
| CAS Number | 143424-67-3 |
|---|---|
| SMILES | C1=CC=C(C=C1)OC2=CC=C(C=C2)NC3=C(C=C(C=C3[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-] |
Product Overview
4'-Phenoxy-2,4,6-trinitrodiphenylamine (CAS 143424-67-3), with molecular formula C18H12N4O7 and molecular weight 396.07 g/mol. IUPAC: 2,4,6-trinitro-N-(4-phenoxyphenyl)aniline.
Chemical Property Profile of 4'-Phenoxy-2,4,6-trinitrodiphenylamine
Property Insights of 4'-Phenoxy-2,4,6-trinitrodiphenylamine
The XLogP value of 4.9471 indicates that 4'-Phenoxy-2,4,6-trinitrodiphenylamine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 150.68 Ų indicates high polarity, suggesting 4'-Phenoxy-2,4,6-trinitrodiphenylamine may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 4'-Phenoxy-2,4,6-trinitrodiphenylamine has 1 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 4'-Phenoxy-2,4,6-trinitrodiphenylamine?
The CAS number of 4'-Phenoxy-2,4,6-trinitrodiphenylamine is 143424-67-3.
What is the molecular formula of 4'-Phenoxy-2,4,6-trinitrodiphenylamine?
The molecular formula of 4'-Phenoxy-2,4,6-trinitrodiphenylamine is C18H12N4O7.
What is the molecular weight of 4'-Phenoxy-2,4,6-trinitrodiphenylamine?
The molecular weight of 4'-Phenoxy-2,4,6-trinitrodiphenylamine is 396.07 g/mol.
Where can I buy 4'-Phenoxy-2,4,6-trinitrodiphenylamine?
You can request a quote for 4'-Phenoxy-2,4,6-trinitrodiphenylamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4'-Phenoxy-2,4,6-trinitrodiphenylamine?
Yes, KEHONG BIO provides custom synthesis services for 4'-Phenoxy-2,4,6-trinitrodiphenylamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.