TL;DR: 3-Hydroxy-2-(4-oxo-3,4-dihydroquinazolin-3-yl)-4'-chloropropiophenone (CAS 108664-54-6) is a chemical compound with molecular formula C17H13ClN2O3 and molecular weight 328.06146 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-[1-(4-chlorophenyl)-3-hydroxy-1-oxopropan-2-yl]quinazolin-4-one
Also Known As: 3-Hydroxy-2-(4-oxo-3,4-dihydroquinazolin-3-yl)-4'-chloropropiophenone, 3-[1-(4-chlorophenyl)-3-hydroxy-1-oxopropan-2-yl]quinazolin-4-one, 3-[1-(4-Chlorophenyl)-3-hydroxy-1-oxopropan-2-yl]quinazolin-4(3H)-one, 3-[2-(4-chlorophenyl)-1-(hydroxymethyl)-2-oxo-ethyl]quinazolin-4-one
| Molecular Formula | C17H13ClN2O3 |
| Molecular Weight | 328.06146 g/mol |
| XLogP | 2.3 |
| Topological Polar Surface Area (TPSA) | 70.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 328.06146 Da |
| Heavy Atoms | 23 |
| Complexity | 488.0 |
| SMILES | C1=CC=C2C(=C1)C(=O)N(C=N2)C(CO)C(=O)C3=CC=C(C=C3)Cl |
| InChIKey | SSTCVWYHONZIIR-UHFFFAOYSA-N |
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Hydroxy-2-(4-oxo-3,4-dihydroquinazolin-3-yl)-4'-chloropropiophenone. The TPSA of 70.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Hydroxy-2-(4-oxo-3,4-dihydroquinazolin-3-yl)-4'-chloropropiophenone. Following Lipinski's Rule of Five, 3-Hydroxy-2-(4-oxo-3,4-dihydroquinazolin-3-yl)-4'-chloropropiophenone has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 3-Hydroxy-2-(4-oxo-3,4-dihydroquinazolin-3-yl)-4'-chloropropiophenone is 108664-54-6.
The molecular formula of 3-Hydroxy-2-(4-oxo-3,4-dihydroquinazolin-3-yl)-4'-chloropropiophenone is C17H13ClN2O3.
The molecular weight of 3-Hydroxy-2-(4-oxo-3,4-dihydroquinazolin-3-yl)-4'-chloropropiophenone is 328.06146 g/mol.
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