TL;DR: [3-(Methylsulfanyl)-5-phenyl-2-furyl](phenyl)methanone (CAS 123958-23-6) is a chemical compound with molecular formula C18H14O2S and molecular weight 294.07144 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(3-methylsulfanyl-5-phenylfuran-2-yl)-phenylmethanone
Also Known As: [3-(methylsulfanyl)-5-phenyl-2-furyl](phenyl)methanone|(3-methylsulfanyl-5-phenylfuran-2-yl)-phenylmethanone|AE-411/41415489|I14-22045
| Molecular Formula | C18H14O2S |
| Molecular Weight | 294.07144 g/mol |
| XLogP | 4.8 |
| Topological Polar Surface Area (TPSA) | 55.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 294.07144 Da |
| Heavy Atoms | 21 |
| Complexity | 345.0 |
| SMILES | CSC1=C(OC(=C1)C2=CC=CC=C2)C(=O)C3=CC=CC=C3 |
| InChIKey | KJOKICQZZFOUGW-UHFFFAOYSA-N |
The XLogP value of 4.8 indicates that [3-(Methylsulfanyl)-5-phenyl-2-furyl](phenyl)methanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.5 Ų, [3-(Methylsulfanyl)-5-phenyl-2-furyl](phenyl)methanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, [3-(Methylsulfanyl)-5-phenyl-2-furyl](phenyl)methanone 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 [3-(Methylsulfanyl)-5-phenyl-2-furyl](phenyl)methanone is 123958-23-6.
The molecular formula of [3-(Methylsulfanyl)-5-phenyl-2-furyl](phenyl)methanone is C18H14O2S.
The molecular weight of [3-(Methylsulfanyl)-5-phenyl-2-furyl](phenyl)methanone is 294.07144 g/mol.
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