4-Chloromethyl-2(5H)-furanone
TL;DR: 4-Chloromethyl-2(5H)-furanone (CAS 125973-99-1) is a chemical compound with molecular formula C5H5ClO2 and molecular weight 131.9978 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-(chloromethyl)-2H-furan-5-one
Also Known As: 4-Chloromethyl-2(5H)-furanone, 2(5H)-Furanone, 4-(chloromethyl)-, 3-(chloromethyl)-2H-furan-5-one, 4-Chloromethylfuran-2(5H)-one, 4-(chloromethyl)-2,5-dihydrofuran-2-one
Technical Specifications
| Molecular Formula | C5H5ClO2 |
| Molecular Weight | 131.9978 g/mol |
| XLogP | 0.2 |
| Topological Polar Surface Area (TPSA) | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 131.9978 Da |
| Heavy Atoms | 8 |
| Complexity | 139.0 |
| SMILES | C1C(=CC(=O)O1)CCl |
| InChIKey | CTCZZJWSQSZQPN-UHFFFAOYSA-N |
Chemical Property Profile of 4-Chloromethyl-2(5H)-furanone
Property Insights of 4-Chloromethyl-2(5H)-furanone
The XLogP value of 0.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Chloromethyl-2(5H)-furanone. With a topological polar surface area (TPSA) of 26.3 Ų, 4-Chloromethyl-2(5H)-furanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Chloromethyl-2(5H)-furanone has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 4-Chloromethyl-2(5H)-furanone?
The CAS number of 4-Chloromethyl-2(5H)-furanone is 125973-99-1.
What is the molecular formula of 4-Chloromethyl-2(5H)-furanone?
The molecular formula of 4-Chloromethyl-2(5H)-furanone is C5H5ClO2.
What is the molecular weight of 4-Chloromethyl-2(5H)-furanone?
The molecular weight of 4-Chloromethyl-2(5H)-furanone is 131.9978 g/mol.
Where can I buy 4-Chloromethyl-2(5H)-furanone?
You can request a quote for 4-Chloromethyl-2(5H)-furanone directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-Chloromethyl-2(5H)-furanone?
Yes, CoreyChem provides custom synthesis services for 4-Chloromethyl-2(5H)-furanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.