2'-(Trifluoromethyl)maleanilic acid
TL;DR: 2'-(Trifluoromethyl)maleanilic acid (CAS 85843-25-0) is a chemical compound with molecular formula C11H8F3NO3 and molecular weight 259.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-4-oxo-4-[2-(trifluoromethyl)anilino]but-2-enoic acid
Also Known As: SDCCGMLS-0065424.P001, 2'-(Trifluoromethyl)maleanilic acid, (2E)-4-oxo-4-{[2-(trifluoromethyl)phenyl]amino}but-2-enoic acid, BB 0221188, (E)-4-oxo-4-[2-(trifluoromethyl)anilino]but-2-enoic acid
| Molecular Formula | C11H8F3NO3 |
|---|---|
| Molecular Weight | 259.05 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 66.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 259.04562 |
| Heavy Atoms | 18 |
| Complexity | 352.0 |
Chemical Identifiers
| CAS Number | 85843-25-0 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C(F)(F)F)NC(=O)/C=C/C(=O)O |
| InChIKey | BUHKBTGELFUBBX-AATRIKPKSA-N |
Product Overview
2'-(Trifluoromethyl)maleanilic acid (CAS 85843-25-0), with molecular formula C11H8F3NO3 and molecular weight 259.05 g/mol. IUPAC: (E)-4-oxo-4-[2-(trifluoromethyl)anilino]but-2-enoic acid.
Chemical Property Profile of 2'-(Trifluoromethyl)maleanilic acid
Property Insights of 2'-(Trifluoromethyl)maleanilic acid
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2'-(Trifluoromethyl)maleanilic acid. The TPSA of 66.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 2'-(Trifluoromethyl)maleanilic acid. Following Lipinski's Rule of Five, 2'-(Trifluoromethyl)maleanilic acid 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 2'-(Trifluoromethyl)maleanilic acid?
The CAS number of 2'-(Trifluoromethyl)maleanilic acid is 85843-25-0.
What is the molecular formula of 2'-(Trifluoromethyl)maleanilic acid?
The molecular formula of 2'-(Trifluoromethyl)maleanilic acid is C11H8F3NO3.
What is the molecular weight of 2'-(Trifluoromethyl)maleanilic acid?
The molecular weight of 2'-(Trifluoromethyl)maleanilic acid is 259.05 g/mol.
Where can I buy 2'-(Trifluoromethyl)maleanilic acid?
You can request a quote for 2'-(Trifluoromethyl)maleanilic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2'-(Trifluoromethyl)maleanilic acid?
Yes, KEHONG BIO provides custom synthesis services for 2'-(Trifluoromethyl)maleanilic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.