3-Chloro-4-methyl-5-ethoxy-2(5H)-furanone
TL;DR: 3-Chloro-4-methyl-5-ethoxy-2(5H)-furanone (CAS 112309-60-1) is a chemical compound with molecular formula C7H9ClO3 and molecular weight 176.02402 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-chloro-2-ethoxy-3-methyl-2H-furan-5-one
Also Known As: 3-Chloro-4-methyl-5-ethoxy-2(5H)-furanone, 3-chloro-5-ethoxy-4-methylfuran-2(5h)-one, 4-chloro-2-ethoxy-3-methyl-2H-furan-5-one, 2(5H)-FURANONE, 3-CHLORO-5-ETHOXY-4-METHYL-, 3-chloro-5-ethoxy-4-methyl-2,5-dihydrofuran-2-one
Technical Specifications
| Molecular Formula | C7H9ClO3 |
| Molecular Weight | 176.02402 g/mol |
| XLogP | 1.3 |
| Topological Polar Surface Area (TPSA) | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 176.02402 Da |
| Heavy Atoms | 11 |
| Complexity | 210.0 |
| SMILES | CCOC1C(=C(C(=O)O1)Cl)C |
| InChIKey | FVADGAULMBOOOS-UHFFFAOYSA-N |
Chemical Property Profile of 3-Chloro-4-methyl-5-ethoxy-2(5H)-furanone
Property Insights of 3-Chloro-4-methyl-5-ethoxy-2(5H)-furanone
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Chloro-4-methyl-5-ethoxy-2(5H)-furanone. With a topological polar surface area (TPSA) of 35.5 Ų, 3-Chloro-4-methyl-5-ethoxy-2(5H)-furanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Chloro-4-methyl-5-ethoxy-2(5H)-furanone has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 3-Chloro-4-methyl-5-ethoxy-2(5H)-furanone?
The CAS number of 3-Chloro-4-methyl-5-ethoxy-2(5H)-furanone is 112309-60-1.
What is the molecular formula of 3-Chloro-4-methyl-5-ethoxy-2(5H)-furanone?
The molecular formula of 3-Chloro-4-methyl-5-ethoxy-2(5H)-furanone is C7H9ClO3.
What is the molecular weight of 3-Chloro-4-methyl-5-ethoxy-2(5H)-furanone?
The molecular weight of 3-Chloro-4-methyl-5-ethoxy-2(5H)-furanone is 176.02402 g/mol.
Where can I buy 3-Chloro-4-methyl-5-ethoxy-2(5H)-furanone?
You can request a quote for 3-Chloro-4-methyl-5-ethoxy-2(5H)-furanone directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-Chloro-4-methyl-5-ethoxy-2(5H)-furanone?
Yes, CoreyChem provides custom synthesis services for 3-Chloro-4-methyl-5-ethoxy-2(5H)-furanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.