3-(2,4,6-Trinitroanilino)phenol
TL;DR: 3-(2,4,6-Trinitroanilino)phenol (CAS 80792-86-5) is a chemical compound with molecular formula C12H8N4O7 and molecular weight 320.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(2,4,6-trinitroanilino)phenol
Also Known As: 3-(2,4,6-trinitroanilino)phenol, 2,4,6-trinitro-3'-hydroxydiphenylamine, 3-[(2,4,6-trinitrophenyl)amino]phenol
| Molecular Formula | C12H8N4O7 |
|---|---|
| Molecular Weight | 320.04 g/mol |
| LogP | 2.8604 |
| Topological Polar Surface Area | 161.68 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 320.0393 |
| Heavy Atoms | 23 |
| Complexity | 785.80164 |
Chemical Identifiers
| CAS Number | 80792-86-5 |
|---|---|
| SMILES | C1=CC(=CC(=C1)O)NC2=C(C=C(C=C2[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-] |
Product Overview
3-(2,4,6-Trinitroanilino)phenol (CAS 80792-86-5), with molecular formula C12H8N4O7 and molecular weight 320.04 g/mol. IUPAC: 3-(2,4,6-trinitroanilino)phenol.
Chemical Property Profile of 3-(2,4,6-Trinitroanilino)phenol
Property Insights of 3-(2,4,6-Trinitroanilino)phenol
The XLogP value of 2.8604 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(2,4,6-Trinitroanilino)phenol. The TPSA of 161.68 Ų indicates high polarity, suggesting 3-(2,4,6-Trinitroanilino)phenol may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 3-(2,4,6-Trinitroanilino)phenol has 2 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 3-(2,4,6-Trinitroanilino)phenol?
The CAS number of 3-(2,4,6-Trinitroanilino)phenol is 80792-86-5.
What is the molecular formula of 3-(2,4,6-Trinitroanilino)phenol?
The molecular formula of 3-(2,4,6-Trinitroanilino)phenol is C12H8N4O7.
What is the molecular weight of 3-(2,4,6-Trinitroanilino)phenol?
The molecular weight of 3-(2,4,6-Trinitroanilino)phenol is 320.04 g/mol.
Where can I buy 3-(2,4,6-Trinitroanilino)phenol?
You can request a quote for 3-(2,4,6-Trinitroanilino)phenol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(2,4,6-Trinitroanilino)phenol?
Yes, KEHONG BIO provides custom synthesis services for 3-(2,4,6-Trinitroanilino)phenol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.