TL;DR: 4(3H)-Quinazolinone, 2-(ethylthio)-3-phenyl- (CAS 29745-27-5) is a chemical compound with molecular formula C16H14N2OS and molecular weight 282.08267 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-ethylsulfanyl-3-phenylquinazolin-4-one
Also Known As: 2- -3-phenylquinazolin-4 -one, 4(3H)-Quinazolinone, 2-(ethylthio)-3-phenyl-, US9796687, Compound 16, 2-(Ethylthio)-3-phenyl-4(3H)quinazolinone, 2-ethylsulfanyl-3-phenylquinazolin-4-one
| Molecular Formula | C16H14N2OS |
| Molecular Weight | 282.08267 g/mol |
| XLogP | 3.4 |
| Topological Polar Surface Area (TPSA) | 58.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 282.08267 Da |
| Heavy Atoms | 20 |
| Complexity | 390.0 |
| SMILES | CCSC1=NC2=CC=CC=C2C(=O)N1C3=CC=CC=C3 |
| InChIKey | CFELAOYYJGZQMD-UHFFFAOYSA-N |
The XLogP value of 3.4 indicates that 4(3H)-Quinazolinone, 2-(ethylthio)-3-phenyl- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 58.0 Ų, 4(3H)-Quinazolinone, 2-(ethylthio)-3-phenyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4(3H)-Quinazolinone, 2-(ethylthio)-3-phenyl- has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 4(3H)-Quinazolinone, 2-(ethylthio)-3-phenyl- is 29745-27-5.
The molecular formula of 4(3H)-Quinazolinone, 2-(ethylthio)-3-phenyl- is C16H14N2OS.
The molecular weight of 4(3H)-Quinazolinone, 2-(ethylthio)-3-phenyl- is 282.08267 g/mol.
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