5,7-Bis(trifluoromethyl)-4-hydroxyquinoline-3-carboxylic acid
TL;DR: 5,7-Bis(trifluoromethyl)-4-hydroxyquinoline-3-carboxylic acid (CAS 240408-95-1) is a chemical compound with molecular formula C12H5F6NO3 and molecular weight 325.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-oxo-5,7-bis(trifluoromethyl)-1H-quinoline-3-carboxylic acid
Also Known As: 5,7-Bis(trifluoromethyl)-4-hydroxyquinoline-3-carboxylic acid, 4-oxo-5,7-bis(trifluoromethyl)-1H-quinoline-3-carboxylic Acid, 4-hydroxy-5,7-bis(trifluoromethyl)quinoline-3-carboxylic acid, 4-Hydroxy-5,7-bis(trifluoromethyl)-3-quinolinecarboxylic acid, 5,7-Bis(trifluoromethyl)-4-hydroxyquinoline-3-carboxylicacid
| Molecular Formula | C12H5F6NO3 |
|---|---|
| Molecular Weight | 325.02 g/mol |
| LogP | 3.2639 |
| Topological Polar Surface Area | 70.16 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 325.01736 |
| Heavy Atoms | 22 |
| Complexity | 818.43726 |
Chemical Identifiers
| CAS Number | 240408-95-1 |
|---|---|
| SMILES | C1=C(C=C2C(=C1C(F)(F)F)C(=O)C(=CN2)C(=O)O)C(F)(F)F |
Product Overview
5,7-Bis(trifluoromethyl)-4-hydroxyquinoline-3-carboxylic acid (CAS 240408-95-1), with molecular formula C12H5F6NO3 and molecular weight 325.02 g/mol. IUPAC: 4-oxo-5,7-bis(trifluoromethyl)-1H-quinoline-3-carboxylic acid.
Chemical Property Profile of 5,7-Bis(trifluoromethyl)-4-hydroxyquinoline-3-carboxylic acid
Property Insights of 5,7-Bis(trifluoromethyl)-4-hydroxyquinoline-3-carboxylic acid
The XLogP value of 3.2639 indicates that 5,7-Bis(trifluoromethyl)-4-hydroxyquinoline-3-carboxylic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 70.16 Ų falls within the moderate polarity range, balancing permeability and solubility for 5,7-Bis(trifluoromethyl)-4-hydroxyquinoline-3-carboxylic acid. Following Lipinski's Rule of Five, 5,7-Bis(trifluoromethyl)-4-hydroxyquinoline-3-carboxylic acid has 2 hydrogen bond donor(s) and 2 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 5,7-Bis(trifluoromethyl)-4-hydroxyquinoline-3-carboxylic acid?
The CAS number of 5,7-Bis(trifluoromethyl)-4-hydroxyquinoline-3-carboxylic acid is 240408-95-1.
What is the molecular formula of 5,7-Bis(trifluoromethyl)-4-hydroxyquinoline-3-carboxylic acid?
The molecular formula of 5,7-Bis(trifluoromethyl)-4-hydroxyquinoline-3-carboxylic acid is C12H5F6NO3.
What is the molecular weight of 5,7-Bis(trifluoromethyl)-4-hydroxyquinoline-3-carboxylic acid?
The molecular weight of 5,7-Bis(trifluoromethyl)-4-hydroxyquinoline-3-carboxylic acid is 325.02 g/mol.
Where can I buy 5,7-Bis(trifluoromethyl)-4-hydroxyquinoline-3-carboxylic acid?
You can request a quote for 5,7-Bis(trifluoromethyl)-4-hydroxyquinoline-3-carboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5,7-Bis(trifluoromethyl)-4-hydroxyquinoline-3-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 5,7-Bis(trifluoromethyl)-4-hydroxyquinoline-3-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.