TL;DR: 4-[[4-(Methylthio)phenyl]methylene]-2-phenyl-5(4H)-oxazolone (CAS 191483-50-8) is a chemical compound with molecular formula C17H13NO2S and molecular weight 295.0667 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-[(4-methylsulfanylphenyl)methylidene]-2-phenyl-1,3-oxazol-5-one
Also Known As: Maybridge1_007319, 4-[[4-(Methylthio)phenyl]methylene]-2-phenyl-5(4H)-oxazolone, 4-[(4-methylsulfanylphenyl)methylidene]-2-phenyl-1,3-oxazol-5-one, 4-{[4-(Methylsulfanyl)phenyl]methylidene}-2-phenyl-1,3-oxazol-5(4H)-one
| Molecular Formula | C17H13NO2S |
| Molecular Weight | 295.0667 g/mol |
| XLogP | 4.1 |
| Topological Polar Surface Area (TPSA) | 64.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 295.0667 Da |
| Heavy Atoms | 21 |
| Complexity | 444.0 |
| SMILES | CSC1=CC=C(C=C1)C=C2C(=O)OC(=N2)C3=CC=CC=C3 |
| InChIKey | PXCPXPCAXFUXPM-UHFFFAOYSA-N |
The XLogP value of 4.1 indicates that 4-[[4-(Methylthio)phenyl]methylene]-2-phenyl-5(4H)-oxazolone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 64.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-[[4-(Methylthio)phenyl]methylene]-2-phenyl-5(4H)-oxazolone. Following Lipinski's Rule of Five, 4-[[4-(Methylthio)phenyl]methylene]-2-phenyl-5(4H)-oxazolone has 0 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 4-[[4-(Methylthio)phenyl]methylene]-2-phenyl-5(4H)-oxazolone is 191483-50-8.
The molecular formula of 4-[[4-(Methylthio)phenyl]methylene]-2-phenyl-5(4H)-oxazolone is C17H13NO2S.
The molecular weight of 4-[[4-(Methylthio)phenyl]methylene]-2-phenyl-5(4H)-oxazolone is 295.0667 g/mol.
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