TL;DR: 2-{[2-(4-Fluorophenyl)-2-oxoethyl]sulfanyl}-3-phenyl-3,4-dihydroquinazolin-4-one (CAS 292064-90-5) is a chemical compound with molecular formula C22H15FN2O2S and molecular weight 390.08383 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[2-(4-fluorophenyl)-2-oxoethyl]sulfanyl-3-phenylquinazolin-4-one
Also Known As: BAS 01846245, 2-{[2-(4-fluorophenyl)-2-oxoethyl]sulfanyl}-3-phenyl-3,4-dihydroquinazolin-4-one, 2-[2-(4-fluorophenyl)-2-oxoethyl]sulfanyl-3-phenylquinazolin-4-one, AA-768/34978039, 2-{[2-(4-fluorophenyl)-2-oxoethyl]sulfanyl}-3-phenyl-4(3H)-quinazolinone
| Molecular Formula | C22H15FN2O2S |
| Molecular Weight | 390.08383 g/mol |
| XLogP | 4.9 |
| Topological Polar Surface Area (TPSA) | 75.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 390.08383 Da |
| Heavy Atoms | 28 |
| Complexity | 612.0 |
| SMILES | C1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)C4=CC=C(C=C4)F |
| InChIKey | BUQPXRVEVHAYCF-UHFFFAOYSA-N |
The XLogP value of 4.9 indicates that 2-{[2-(4-Fluorophenyl)-2-oxoethyl]sulfanyl}-3-phenyl-3,4-dihydroquinazolin-4-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 75.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-{[2-(4-Fluorophenyl)-2-oxoethyl]sulfanyl}-3-phenyl-3,4-dihydroquinazolin-4-one. Following Lipinski's Rule of Five, 2-{[2-(4-Fluorophenyl)-2-oxoethyl]sulfanyl}-3-phenyl-3,4-dihydroquinazolin-4-one has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 2-{[2-(4-Fluorophenyl)-2-oxoethyl]sulfanyl}-3-phenyl-3,4-dihydroquinazolin-4-one is 292064-90-5.
The molecular formula of 2-{[2-(4-Fluorophenyl)-2-oxoethyl]sulfanyl}-3-phenyl-3,4-dihydroquinazolin-4-one is C22H15FN2O2S.
The molecular weight of 2-{[2-(4-Fluorophenyl)-2-oxoethyl]sulfanyl}-3-phenyl-3,4-dihydroquinazolin-4-one is 390.08383 g/mol.
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