TL;DR: 2-(4-(3-CHLORO-5-(TRIFLUOROMETHYL)-2-PYRIDYLOXY)PHENYL)-1,2,3-TRIHYDROQUINAZOLIN-4-ONE (CAS 1023488-59-6) is a chemical compound with molecular formula C20H13ClF3N3O2 and molecular weight 419.06485 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-2,3-dihydro-1H-quinazolin-4-one
Also Known As: 2-(4-(3-CHLORO-5-(TRIFLUOROMETHYL)-2-PYRIDYLOXY)PHENYL)-1,2,3-TRIHYDROQUINAZOLIN-4-ONE, 2-[4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]oxyphenyl]-2,3-dihydro-1H-quinazolin-4-one, 2-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridyl]oxy]phenyl]-2,3-dihydro-1H-quinazolin-4-one, 2-{4-[3-chloro-5-(trifluoromethyl)-2-pyridyloxy]phenyl}-1,2,3-trihydroquinazol in-4-one, 2-(4-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]oxy}phenyl)-1,2,3,4-tetrahydroquinazolin-4-one
| Molecular Formula | C20H13ClF3N3O2 |
| Molecular Weight | 419.06485 g/mol |
| XLogP | 4.9 |
| Topological Polar Surface Area (TPSA) | 63.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 419.06485 Da |
| Heavy Atoms | 29 |
| Complexity | 586.0 |
| SMILES | C1=CC=C2C(=C1)C(=O)NC(N2)C3=CC=C(C=C3)OC4=C(C=C(C=N4)C(F)(F)F)Cl |
| InChIKey | CJYFXNUEFFZPLP-UHFFFAOYSA-N |
The XLogP value of 4.9 indicates that 2-(4-(3-CHLORO-5-(TRIFLUOROMETHYL)-2-PYRIDYLOXY)PHENYL)-1,2,3-TRIHYDROQUINAZOLIN-4-ONE is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(4-(3-CHLORO-5-(TRIFLUOROMETHYL)-2-PYRIDYLOXY)PHENYL)-1,2,3-TRIHYDROQUINAZOLIN-4-ONE. Following Lipinski's Rule of Five, 2-(4-(3-CHLORO-5-(TRIFLUOROMETHYL)-2-PYRIDYLOXY)PHENYL)-1,2,3-TRIHYDROQUINAZOLIN-4-ONE has 2 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 2-(4-(3-CHLORO-5-(TRIFLUOROMETHYL)-2-PYRIDYLOXY)PHENYL)-1,2,3-TRIHYDROQUINAZOLIN-4-ONE is 1023488-59-6.
The molecular formula of 2-(4-(3-CHLORO-5-(TRIFLUOROMETHYL)-2-PYRIDYLOXY)PHENYL)-1,2,3-TRIHYDROQUINAZOLIN-4-ONE is C20H13ClF3N3O2.
The molecular weight of 2-(4-(3-CHLORO-5-(TRIFLUOROMETHYL)-2-PYRIDYLOXY)PHENYL)-1,2,3-TRIHYDROQUINAZOLIN-4-ONE is 419.06485 g/mol.
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