TL;DR: Homofuraneol (CAS 27538-10-9) is a chemical compound with molecular formula C7H10O3 and molecular weight 142.06299 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-ethyl-4-hydroxy-5-methylfuran-3-one
Also Known As: homofuraneol, Ethyl furaneol, 2-Ethyl-4-hydroxy-5-methyl-3(2H)-furanone, Homofureanol, 2-Ethyl-4-hydroxy-5-methylfuran-3(2H)-one
Top 5 of 12 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C7H10O3 |
| Molecular Weight | 142.06299 g/mol |
| XLogP | 1.2 |
| Topological Polar Surface Area (TPSA) | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 142.06299 Da |
| Heavy Atoms | 10 |
| Complexity | 193.0 |
| Boiling Point | 103.00 °C. @ 15.00 mm Hg |
| SMILES | CCC1C(=O)C(=C(O1)C)O |
| InChIKey | GWCRPYGYVRXVLI-UHFFFAOYSA-N |
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Homofuraneol. With a topological polar surface area (TPSA) of 46.5 Ų, Homofuraneol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Homofuraneol has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of Homofuraneol is 27538-10-9.
The molecular formula of Homofuraneol is C7H10O3.
The molecular weight of Homofuraneol is 142.06299 g/mol.
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