![3-[2,6-Dinitro-4-(trifluoromethyl)anilino]phenol structure](/static/products/331/331673-54-2.png)
3-[2,6-Dinitro-4-(trifluoromethyl)anilino]phenol
TL;DR: 3-[2,6-Dinitro-4-(trifluoromethyl)anilino]phenol (CAS 331673-54-2) is a chemical compound with molecular formula C13H8F3N3O5 and molecular weight 343.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[2,6-dinitro-4-(trifluoromethyl)anilino]phenol
Also Known As: 3-[2,6-dinitro-4-(trifluoromethyl)anilino]phenol, BAS 00456524, 3-[2,6-bisnitro-4-(trifluoromethyl)anilino]phenol, 3-(2,6-Dinitro-4-trifluoromethyl-phenylamino)-phenol, 3-{[2,6-dinitro-4-(trifluoromethyl)phenyl]amino}phenol
| Molecular Formula | C13H8F3N3O5 |
|---|---|
| Molecular Weight | 343.04 g/mol |
| LogP | 3.971 |
| Topological Polar Surface Area | 118.54 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 343.0416 |
| Heavy Atoms | 24 |
| Complexity | 787.735 |
Chemical Identifiers
| CAS Number | 331673-54-2 |
|---|---|
| SMILES | C1=CC(=CC(=C1)O)NC2=C(C=C(C=C2[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-] |
Product Overview
3-[2,6-Dinitro-4-(trifluoromethyl)anilino]phenol (CAS 331673-54-2), with molecular formula C13H8F3N3O5 and molecular weight 343.04 g/mol. IUPAC: 3-[2,6-dinitro-4-(trifluoromethyl)anilino]phenol.
Chemical Property Profile of 3-[2,6-Dinitro-4-(trifluoromethyl)anilino]phenol
Property Insights of 3-[2,6-Dinitro-4-(trifluoromethyl)anilino]phenol
The XLogP value of 3.971 indicates that 3-[2,6-Dinitro-4-(trifluoromethyl)anilino]phenol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 118.54 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-[2,6-Dinitro-4-(trifluoromethyl)anilino]phenol. Following Lipinski's Rule of Five, 3-[2,6-Dinitro-4-(trifluoromethyl)anilino]phenol has 2 hydrogen bond donor(s) and 6 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-[2,6-Dinitro-4-(trifluoromethyl)anilino]phenol?
The CAS number of 3-[2,6-Dinitro-4-(trifluoromethyl)anilino]phenol is 331673-54-2.
What is the molecular formula of 3-[2,6-Dinitro-4-(trifluoromethyl)anilino]phenol?
The molecular formula of 3-[2,6-Dinitro-4-(trifluoromethyl)anilino]phenol is C13H8F3N3O5.
What is the molecular weight of 3-[2,6-Dinitro-4-(trifluoromethyl)anilino]phenol?
The molecular weight of 3-[2,6-Dinitro-4-(trifluoromethyl)anilino]phenol is 343.04 g/mol.
Where can I buy 3-[2,6-Dinitro-4-(trifluoromethyl)anilino]phenol?
You can request a quote for 3-[2,6-Dinitro-4-(trifluoromethyl)anilino]phenol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-[2,6-Dinitro-4-(trifluoromethyl)anilino]phenol?
Yes, KEHONG BIO provides custom synthesis services for 3-[2,6-Dinitro-4-(trifluoromethyl)anilino]phenol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.