TL;DR: Methyl 2,3-dihydro-2-hydroxy-5-(4-methoxyphenyl)-3-oxo-2-furanacetate (CAS 133880-35-0) is a chemical compound with molecular formula C14H14O6 and molecular weight 278.07904 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl 2-[5-(4-methoxyphenyl)-3-oxofuran-2-yl]ethaneperoxoate
Also Known As: Methyl 2,3-dihydro-2-hydroxy-5-(4-methoxyphenyl)-3-oxo-2-furanacetate, 2-Furanacetic acid, 2,3-dihydro-2-hydroxy-5-(4-methoxyphenyl)-3-oxo-, methyl ester, methyl 2-[5-(4-methoxyphenyl)-3-oxofuran-2-yl]ethaneperoxoate, Methyl [5-(4-methoxyphenyl)-3-oxo-2,3-dihydrofuran-2-yl]ethaneperoxoate, BRN 5442630
| Molecular Formula | C14H14O6 |
| Molecular Weight | 278.07904 g/mol |
| XLogP | 1.6 |
| Topological Polar Surface Area (TPSA) | 71.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 278.07904 Da |
| Heavy Atoms | 20 |
| Complexity | 394.0 |
| SMILES | COC1=CC=C(C=C1)C2=CC(=O)C(O2)CC(=O)OOC |
| InChIKey | HICFOHIAVYCOJU-UHFFFAOYSA-N |
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 2,3-dihydro-2-hydroxy-5-(4-methoxyphenyl)-3-oxo-2-furanacetate. The TPSA of 71.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 2,3-dihydro-2-hydroxy-5-(4-methoxyphenyl)-3-oxo-2-furanacetate. Following Lipinski's Rule of Five, Methyl 2,3-dihydro-2-hydroxy-5-(4-methoxyphenyl)-3-oxo-2-furanacetate 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 Methyl 2,3-dihydro-2-hydroxy-5-(4-methoxyphenyl)-3-oxo-2-furanacetate is 133880-35-0.
The molecular formula of Methyl 2,3-dihydro-2-hydroxy-5-(4-methoxyphenyl)-3-oxo-2-furanacetate is C14H14O6.
The molecular weight of Methyl 2,3-dihydro-2-hydroxy-5-(4-methoxyphenyl)-3-oxo-2-furanacetate is 278.07904 g/mol.
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