4,4'-Dinitrotriphenylamine
TL;DR: 4,4'-Dinitrotriphenylamine (CAS 1100-10-3) is a chemical compound with molecular formula C18H13N3O4 and molecular weight 335.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-nitro-N-(4-nitrophenyl)-N-phenylaniline
Also Known As: Bis-(4-nitrophenyl)phenylamine, 4,4'-Dinitrotriphenylamine, 4-nitro-N-(4-nitrophenyl)-N-phenylaniline, BIS(4-NITROPHENYL)PHENYLAMINE, 4,4'-Dinitro-triphenylamine
| Molecular Formula | C18H13N3O4 |
|---|---|
| Molecular Weight | 335.09 g/mol |
| LogP | 4.9728 |
| Topological Polar Surface Area | 89.52 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 335.0906 |
| Heavy Atoms | 25 |
| Complexity | 836.369 |
Chemical Identifiers
| CAS Number | 1100-10-3 |
|---|---|
| SMILES | C1=CC=C(C=C1)N(C2=CC=C(C=C2)[N+](=O)[O-])C3=CC=C(C=C3)[N+](=O)[O-] |
Product Overview
4,4'-Dinitrotriphenylamine (CAS 1100-10-3), with molecular formula C18H13N3O4 and molecular weight 335.09 g/mol. IUPAC: 4-nitro-N-(4-nitrophenyl)-N-phenylaniline.
Chemical Property Profile of 4,4'-Dinitrotriphenylamine
Property Insights of 4,4'-Dinitrotriphenylamine
The XLogP value of 4.9728 indicates that 4,4'-Dinitrotriphenylamine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 89.52 Ų falls within the moderate polarity range, balancing permeability and solubility for 4,4'-Dinitrotriphenylamine. Following Lipinski's Rule of Five, 4,4'-Dinitrotriphenylamine has 0 hydrogen bond donor(s) and 5 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 4,4'-Dinitrotriphenylamine?
The CAS number of 4,4'-Dinitrotriphenylamine is 1100-10-3.
What is the molecular formula of 4,4'-Dinitrotriphenylamine?
The molecular formula of 4,4'-Dinitrotriphenylamine is C18H13N3O4.
What is the molecular weight of 4,4'-Dinitrotriphenylamine?
The molecular weight of 4,4'-Dinitrotriphenylamine is 335.09 g/mol.
Where can I buy 4,4'-Dinitrotriphenylamine?
You can request a quote for 4,4'-Dinitrotriphenylamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4,4'-Dinitrotriphenylamine?
Yes, KEHONG BIO provides custom synthesis services for 4,4'-Dinitrotriphenylamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.