TL;DR: Methyl 2-(2-methoxy-2-oxoethyl)furan-3-carboxylate (CAS 162337-80-6) is a chemical compound with molecular formula C9H10O5 and molecular weight 198.05283 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl 2-(2-methoxy-2-oxoethyl)furan-3-carboxylate
Also Known As: methyl 2-(2-methoxy-2-oxoethyl)-3-furoate, methyl 2-(2-methoxy-2-oxoethyl)furan-3-carboxylate, methyl 3-methoxycarbonylfuran-2-acetate, methyl 3-methoxycarbonylfuran-2-ylacetate, Methyl 3-(methoxycarbonyl)-2-furanacetate
| Molecular Formula | C9H10O5 |
| Molecular Weight | 198.05283 g/mol |
| XLogP | 0.7 |
| Topological Polar Surface Area (TPSA) | 65.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 198.05283 Da |
| Heavy Atoms | 14 |
| Complexity | 225.0 |
| SMILES | COC(=O)CC1=C(C=CO1)C(=O)OC |
| InChIKey | JIGKOCXNPDLBAT-UHFFFAOYSA-N |
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 2-(2-methoxy-2-oxoethyl)furan-3-carboxylate. The TPSA of 65.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 2-(2-methoxy-2-oxoethyl)furan-3-carboxylate. Following Lipinski's Rule of Five, Methyl 2-(2-methoxy-2-oxoethyl)furan-3-carboxylate 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 Methyl 2-(2-methoxy-2-oxoethyl)furan-3-carboxylate is 162337-80-6.
The molecular formula of Methyl 2-(2-methoxy-2-oxoethyl)furan-3-carboxylate is C9H10O5.
The molecular weight of Methyl 2-(2-methoxy-2-oxoethyl)furan-3-carboxylate is 198.05283 g/mol.
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