TL;DR: methyl 4-[1-(4-fluorophenyl)-1-oxopropan-2-yl]-5,5-dimethyl-2-oxotetrahydrofuran-3-carboxylate (CAS 1005108-38-2) is a chemical compound with molecular formula C17H19FO5 and molecular weight 322.12164 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl 4-[1-(4-fluorophenyl)-1-oxopropan-2-yl]-5,5-dimethyl-2-oxooxolane-3-carboxylate
Also Known As: methyl 4-[1-(4-fluorophenyl)-1-oxopropan-2-yl]-5,5-dimethyl-2-oxotetrahydrofuran-3-carboxylate, methyl 4-(1-(4-fluorophenyl)-1-oxopropan-2-yl)-5,5-dimethyl-2-oxotetrahydrofuran-3-carboxylate, methyl 4-[1-(4-fluorophenyl)-1-oxopropan-2-yl]-5,5-dimethyl-2-oxooxolane-3-carboxylate, METHYL 4-[2-(4-FLUOROPHENYL)-1-METHYL-2-OXOETHYL]-5,5-DIMETHYL-2-OXOTETRAHYDRO-3-FURANCARBOXYLATE
| Molecular Formula | C17H19FO5 |
| Molecular Weight | 322.12164 g/mol |
| XLogP | 2.8 |
| Topological Polar Surface Area (TPSA) | 69.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 322.12164 Da |
| Heavy Atoms | 23 |
| Complexity | 493.0 |
| SMILES | CC(C1C(C(=O)OC1(C)C)C(=O)OC)C(=O)C2=CC=C(C=C2)F |
| InChIKey | QDHACZXPGNPJNU-UHFFFAOYSA-N |
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl 4-[1-(4-fluorophenyl)-1-oxopropan-2-yl]-5,5-dimethyl-2-oxotetrahydrofuran-3-carboxylate. The TPSA of 69.7 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 4-[1-(4-fluorophenyl)-1-oxopropan-2-yl]-5,5-dimethyl-2-oxotetrahydrofuran-3-carboxylate. Following Lipinski's Rule of Five, methyl 4-[1-(4-fluorophenyl)-1-oxopropan-2-yl]-5,5-dimethyl-2-oxotetrahydrofuran-3-carboxylate 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 4-[1-(4-fluorophenyl)-1-oxopropan-2-yl]-5,5-dimethyl-2-oxotetrahydrofuran-3-carboxylate is 1005108-38-2.
The molecular formula of methyl 4-[1-(4-fluorophenyl)-1-oxopropan-2-yl]-5,5-dimethyl-2-oxotetrahydrofuran-3-carboxylate is C17H19FO5.
The molecular weight of methyl 4-[1-(4-fluorophenyl)-1-oxopropan-2-yl]-5,5-dimethyl-2-oxotetrahydrofuran-3-carboxylate is 322.12164 g/mol.
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