TL;DR: 2-[4-(Trifluoromethyl)phenyl]quinoline-4-carboxylic acid (CAS 132132-57-1) is a chemical compound with molecular formula C17H10F3NO2 and molecular weight 317.06638 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[4-(trifluoromethyl)phenyl]quinoline-4-carboxylic acid
Also Known As: 2-[4-(trifluoromethyl)phenyl]quinoline-4-carboxylic acid, J1.508.421I, 2-(4-Trifluoromethylphenyl)-quinoline-4-carboxylic acid, 2-(4-Trifluoromethyl-phenyl)-quinoline-4-carboxylic acid, 4-Quinolinecarboxylic acid, 2-[4-(trifluoromethyl)phenyl]-
| Molecular Formula | C17H10F3NO2 |
| Molecular Weight | 317.06638 g/mol |
| XLogP | 4.3 |
| Topological Polar Surface Area (TPSA) | 50.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 317.06638 Da |
| Heavy Atoms | 23 |
| Complexity | 432.0 |
| SMILES | C1=CC=C2C(=C1)C(=CC(=N2)C3=CC=C(C=C3)C(F)(F)F)C(=O)O |
| InChIKey | DYBCZSIHZLWHTQ-UHFFFAOYSA-N |
The XLogP value of 4.3 indicates that 2-[4-(Trifluoromethyl)phenyl]quinoline-4-carboxylic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 50.2 Ų, 2-[4-(Trifluoromethyl)phenyl]quinoline-4-carboxylic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-[4-(Trifluoromethyl)phenyl]quinoline-4-carboxylic acid has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 2-[4-(Trifluoromethyl)phenyl]quinoline-4-carboxylic acid is 132132-57-1.
The molecular formula of 2-[4-(Trifluoromethyl)phenyl]quinoline-4-carboxylic acid is C17H10F3NO2.
The molecular weight of 2-[4-(Trifluoromethyl)phenyl]quinoline-4-carboxylic acid is 317.06638 g/mol.
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