TL;DR: Phenyl{[2-(trifluoromethyl)-4-quinazolinyl]amino}acetic acid (CAS 1008999-12-9) is a chemical compound with molecular formula C17H12F3N3O2 and molecular weight 347.08817 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-phenyl-2-[[2-(trifluoromethyl)quinazolin-4-yl]amino]acetic acid
Also Known As: phenyl{[2-(trifluoromethyl)-4-quinazolinyl]amino}acetic acid, 2-phenyl-2-[[2-(trifluoromethyl)quinazolin-4-yl]amino]acetic Acid, F3099-5836, 2-phenyl-2-((2-(trifluoromethyl)quinazolin-4-yl)amino)acetic acid, 2-phenyl-2-{[2-(trifluoromethyl)quinazolin-4-yl]amino}acetic acid
| Molecular Formula | C17H12F3N3O2 |
| Molecular Weight | 347.08817 g/mol |
| XLogP | 4.1 |
| Topological Polar Surface Area (TPSA) | 75.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 4 |
| Exact Mass | 347.08817 Da |
| Heavy Atoms | 25 |
| Complexity | 469.0 |
| SMILES | C1=CC=C(C=C1)C(C(=O)O)NC2=NC(=NC3=CC=CC=C32)C(F)(F)F |
| InChIKey | ZPSCGBCFUMEHEO-UHFFFAOYSA-N |
The XLogP value of 4.1 indicates that Phenyl{[2-(trifluoromethyl)-4-quinazolinyl]amino}acetic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 75.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Phenyl{[2-(trifluoromethyl)-4-quinazolinyl]amino}acetic acid. Following Lipinski's Rule of Five, Phenyl{[2-(trifluoromethyl)-4-quinazolinyl]amino}acetic acid has 2 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of Phenyl{[2-(trifluoromethyl)-4-quinazolinyl]amino}acetic acid is 1008999-12-9.
The molecular formula of Phenyl{[2-(trifluoromethyl)-4-quinazolinyl]amino}acetic acid is C17H12F3N3O2.
The molecular weight of Phenyl{[2-(trifluoromethyl)-4-quinazolinyl]amino}acetic acid is 347.08817 g/mol.
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