Tris(2-((3-(trifluoromethyl)phenyl)amino-kappaN)benzoato-kappaO)aluminum
TL;DR: Tris(2-((3-(trifluoromethyl)phenyl)amino-kappaN)benzoato-kappaO)aluminum (CAS 16449-54-0) is a chemical compound with molecular formula C42H27AlF9N3O6 and molecular weight 867.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
aluminum tris(2-[3-(trifluoromethyl)anilino]benzoate)
Also Known As: Aluminum flufenamate, Opyrin, Alfenamin, Alufenamine, Aluminium flufenamate
| Molecular Formula | C42H27AlF9N3O6 |
|---|---|
| Molecular Weight | 867.16 g/mol |
| LogP | 8.06 |
| Topological Polar Surface Area | 156.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 18 |
| Rotatable Bonds | 6 |
| Exact Mass | 867.15717 |
| Heavy Atoms | 61 |
| Complexity | 340.0 |
Chemical Identifiers
| CAS Number | 16449-54-0 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C(=O)[O-])NC2=CC=CC(=C2)C(F)(F)F.C1=CC=C(C(=C1)C(=O)[O-])NC2=CC=CC(=C2)C(F)(F)F.C1=CC=C(C(=C1)C(=O)[O-])NC2=CC=CC(=C2)C(F)(F)F.[Al+3] |
| InChIKey | OSQHGAXCVAYZPZ-UHFFFAOYSA-K |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Tris(2-((3-(trifluoromethyl)phenyl)amino-kappaN)benzoato-kappaO)aluminum (CAS 16449-54-0), with molecular formula C42H27AlF9N3O6 and molecular weight 867.16 g/mol. IUPAC: aluminum tris(2-[3-(trifluoromethyl)anilino]benzoate).
Chemical Property Profile of Tris(2-((3-(trifluoromethyl)phenyl)amino-kappaN)benzoato-kappaO)aluminum
Property Insights of Tris(2-((3-(trifluoromethyl)phenyl)amino-kappaN)benzoato-kappaO)aluminum
The XLogP value of 8.06 indicates that Tris(2-((3-(trifluoromethyl)phenyl)amino-kappaN)benzoato-kappaO)aluminum is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 156.0 Ų indicates high polarity, suggesting Tris(2-((3-(trifluoromethyl)phenyl)amino-kappaN)benzoato-kappaO)aluminum may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Tris(2-((3-(trifluoromethyl)phenyl)amino-kappaN)benzoato-kappaO)aluminum has 3 hydrogen bond donor(s) and 18 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Tris(2-((3-(trifluoromethyl)phenyl)amino-kappaN)benzoato-kappaO)aluminum?
The CAS number of Tris(2-((3-(trifluoromethyl)phenyl)amino-kappaN)benzoato-kappaO)aluminum is 16449-54-0.
What is the molecular formula of Tris(2-((3-(trifluoromethyl)phenyl)amino-kappaN)benzoato-kappaO)aluminum?
The molecular formula of Tris(2-((3-(trifluoromethyl)phenyl)amino-kappaN)benzoato-kappaO)aluminum is C42H27AlF9N3O6.
What is the molecular weight of Tris(2-((3-(trifluoromethyl)phenyl)amino-kappaN)benzoato-kappaO)aluminum?
The molecular weight of Tris(2-((3-(trifluoromethyl)phenyl)amino-kappaN)benzoato-kappaO)aluminum is 867.16 g/mol.
Where can I buy Tris(2-((3-(trifluoromethyl)phenyl)amino-kappaN)benzoato-kappaO)aluminum?
You can request a quote for Tris(2-((3-(trifluoromethyl)phenyl)amino-kappaN)benzoato-kappaO)aluminum directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Tris(2-((3-(trifluoromethyl)phenyl)amino-kappaN)benzoato-kappaO)aluminum?
Yes, KEHONG BIO provides custom synthesis services for Tris(2-((3-(trifluoromethyl)phenyl)amino-kappaN)benzoato-kappaO)aluminum and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.