TL;DR: 2-Furanacetic acid, 2,3-dihydro-2-hydroxy-3-oxo-5-phenyl-, methyl ester (CAS 139266-64-1) is a chemical compound with molecular formula C13H12O5 and molecular weight 248.06847 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl 2-(3-oxo-5-phenylfuran-2-yl)ethaneperoxoate
Also Known As: methyl2- ethaneperoxoate, Methyl 2,3-dihydro-2-hydroxy-3-oxo-5-phenyl-2-furanacetate, methyl 2-(3-oxo-5-phenylfuran-2-yl)ethaneperoxoate, 2-Furanacetic acid, 2,3-dihydro-2-hydroxy-3-oxo-5-phenyl-, methyl ester, 2-Furanacetic acid,2,3-dihydro-2-hydroxy-3-oxo-5-phenyl-, methyl ester
| Molecular Formula | C13H12O5 |
| Molecular Weight | 248.06847 g/mol |
| XLogP | 1.6 |
| Topological Polar Surface Area (TPSA) | 61.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 248.06847 Da |
| Heavy Atoms | 18 |
| Complexity | 354.0 |
| SMILES | COOC(=O)CC1C(=O)C=C(O1)C2=CC=CC=C2 |
| InChIKey | QMYSMYLDXOENQY-UHFFFAOYSA-N |
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Furanacetic acid, 2,3-dihydro-2-hydroxy-3-oxo-5-phenyl-, methyl ester. The TPSA of 61.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Furanacetic acid, 2,3-dihydro-2-hydroxy-3-oxo-5-phenyl-, methyl ester. Following Lipinski's Rule of Five, 2-Furanacetic acid, 2,3-dihydro-2-hydroxy-3-oxo-5-phenyl-, methyl ester 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 2-Furanacetic acid, 2,3-dihydro-2-hydroxy-3-oxo-5-phenyl-, methyl ester is 139266-64-1.
The molecular formula of 2-Furanacetic acid, 2,3-dihydro-2-hydroxy-3-oxo-5-phenyl-, methyl ester is C13H12O5.
The molecular weight of 2-Furanacetic acid, 2,3-dihydro-2-hydroxy-3-oxo-5-phenyl-, methyl ester is 248.06847 g/mol.
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