TL;DR: (Z)-2-(2,3-dimethoxybenzylidene)-6-(2-oxo-2-phenylethoxy)benzofuran-3(2H)-one (CAS 622793-92-4) is a chemical compound with molecular formula C25H20O6 and molecular weight 416.12598 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2Z)-2-[(2,3-dimethoxyphenyl)methylidene]-6-phenacyloxy-1-benzofuran-3-one
Also Known As: (Z)-2-(2,3-dimethoxybenzylidene)-6-(2-oxo-2-phenylethoxy)benzofuran-3(2H)-one, (2Z)-2-(2,3-dimethoxybenzylidene)-6-(2-oxo-2-phenylethoxy)-1-benzofuran-3(2H)-one, (2Z)-2-[(2,3-dimethoxyphenyl)methylidene]-6-phenacyloxy-1-benzofuran-3-one
| Molecular Formula | C25H20O6 |
| Molecular Weight | 416.12598 g/mol |
| XLogP | 4.9 |
| Topological Polar Surface Area (TPSA) | 71.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 416.12598 Da |
| Heavy Atoms | 31 |
| Complexity | 667.0 |
| SMILES | COC1=CC=CC(=C1OC)/C=C\2/C(=O)C3=C(O2)C=C(C=C3)OCC(=O)C4=CC=CC=C4 |
| InChIKey | OPMYDWIRRUNGTK-QRVIBDJDSA-N |
The XLogP value of 4.9 indicates that (Z)-2-(2,3-dimethoxybenzylidene)-6-(2-oxo-2-phenylethoxy)benzofuran-3(2H)-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 71.1 Ų falls within the moderate polarity range, balancing permeability and solubility for (Z)-2-(2,3-dimethoxybenzylidene)-6-(2-oxo-2-phenylethoxy)benzofuran-3(2H)-one. Following Lipinski's Rule of Five, (Z)-2-(2,3-dimethoxybenzylidene)-6-(2-oxo-2-phenylethoxy)benzofuran-3(2H)-one has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of (Z)-2-(2,3-dimethoxybenzylidene)-6-(2-oxo-2-phenylethoxy)benzofuran-3(2H)-one is 622793-92-4.
The molecular formula of (Z)-2-(2,3-dimethoxybenzylidene)-6-(2-oxo-2-phenylethoxy)benzofuran-3(2H)-one is C25H20O6.
The molecular weight of (Z)-2-(2,3-dimethoxybenzylidene)-6-(2-oxo-2-phenylethoxy)benzofuran-3(2H)-one is 416.12598 g/mol.
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