TL;DR: Ethyl 5-(4-fluorophenyl)-2-methyl-3-furoate (CAS 155090-83-8) is a chemical compound with molecular formula C14H13FO3 and molecular weight 248.08487 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl 5-(4-fluorophenyl)-2-methylfuran-3-carboxylate
Also Known As: ethyl 5-(4-fluorophenyl)-2-methyl-3-furoate, ethyl 5-(4-fluorophenyl)-2-methylfuran-3-carboxylate, 3-Furancarboxylic acid,5-(4-fluorophenyl)-2-methyl-, ethyl ester, J3.538.127I, Poly(3,4-ethylenedioxythiophene)-poly(styrenesulfonate)
| Molecular Formula | C14H13FO3 |
| Molecular Weight | 248.08487 g/mol |
| XLogP | 3.4 |
| Topological Polar Surface Area (TPSA) | 39.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 248.08487 Da |
| Heavy Atoms | 18 |
| Complexity | 287.0 |
| SMILES | CCOC(=O)C1=C(OC(=C1)C2=CC=C(C=C2)F)C |
| InChIKey | XUYCJNMLONEKAS-UHFFFAOYSA-N |
The XLogP value of 3.4 indicates that Ethyl 5-(4-fluorophenyl)-2-methyl-3-furoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 39.4 Ų, Ethyl 5-(4-fluorophenyl)-2-methyl-3-furoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 5-(4-fluorophenyl)-2-methyl-3-furoate has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of Ethyl 5-(4-fluorophenyl)-2-methyl-3-furoate is 155090-83-8.
The molecular formula of Ethyl 5-(4-fluorophenyl)-2-methyl-3-furoate is C14H13FO3.
The molecular weight of Ethyl 5-(4-fluorophenyl)-2-methyl-3-furoate is 248.08487 g/mol.
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