TL;DR: 4(3H)-Quinazolinone, 3-phenyl-2-((2-pyridinylmethyl)sulfinyl)- (CAS 117038-05-8) is a chemical compound with molecular formula C20H15N3O2S and molecular weight 361.0885 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-phenyl-2-(pyridin-2-ylmethylsulfinyl)quinazolin-4-one
Also Known As: 3-Phenyl-2-(2-pyridylmethylsulfinyl)-4(3H)-quinazolinone, 3-Phenyl-2-((2-pyridinylmethyl)sulfinyl)-4(3H)-quinazolinone, 4(3H)-Quinazolinone, 3-phenyl-2-((2-pyridinylmethyl)sulfinyl)-, 3-phenyl-2-(pyridin-2-ylmethylsulfinyl)quinazolin-4-one, 3-Phenyl-2-((pyridin-2-ylmethyl)sulfinyl)quinazolin-4(3H)-one
| Molecular Formula | C20H15N3O2S |
| Molecular Weight | 361.0885 g/mol |
| XLogP | 2.5 |
| Topological Polar Surface Area (TPSA) | 81.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 361.0885 Da |
| Heavy Atoms | 26 |
| Complexity | 573.0 |
| SMILES | C1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2S(=O)CC4=CC=CC=N4 |
| InChIKey | RQODJPLBSBDZLJ-UHFFFAOYSA-N |
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4(3H)-Quinazolinone, 3-phenyl-2-((2-pyridinylmethyl)sulfinyl)-. The TPSA of 81.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 4(3H)-Quinazolinone, 3-phenyl-2-((2-pyridinylmethyl)sulfinyl)-. Following Lipinski's Rule of Five, 4(3H)-Quinazolinone, 3-phenyl-2-((2-pyridinylmethyl)sulfinyl)- 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 4(3H)-Quinazolinone, 3-phenyl-2-((2-pyridinylmethyl)sulfinyl)- is 117038-05-8.
The molecular formula of 4(3H)-Quinazolinone, 3-phenyl-2-((2-pyridinylmethyl)sulfinyl)- is C20H15N3O2S.
The molecular weight of 4(3H)-Quinazolinone, 3-phenyl-2-((2-pyridinylmethyl)sulfinyl)- is 361.0885 g/mol.
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