4-acetoxy-2,5-dimethyl-3(2H)-furanone
TL;DR: 4-acetoxy-2,5-dimethyl-3(2H)-furanone (CAS 4166-20-5) is a chemical compound with molecular formula C8H10O4 and molecular weight 170.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2,5-dimethyl-4-oxofuran-3-yl) acetate
Also Known As: Furaneol acetate, 2,5-dimethyl-4-oxo-4,5-dihydrofuran-3-yl acetate, Strawberry acetate, Fraision Acetate, Caramel acetate
| Molecular Formula | C8H10O4 |
|---|---|
| Molecular Weight | 170.06 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 170.0579 |
| Heavy Atoms | 12 |
| Complexity | 264.0 |
| Boiling Point | 243.00 °C. @ 760.00 mm Hg |
| Density | 1.159-1.167 |
| Solubility | Slightly soluble in water |
| Refractive Index | 1.476-1.480 |
Chemical Identifiers
| CAS Number | 4166-20-5 |
|---|---|
| SMILES | CC1C(=O)C(=C(O1)C)OC(=O)C |
| InChIKey | VPKIUOQJQJVLRW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-acetoxy-2,5-dimethyl-3(2H)-furanone (CAS 4166-20-5), with molecular formula C8H10O4 and molecular weight 170.06 g/mol. IUPAC: (2,5-dimethyl-4-oxofuran-3-yl) acetate.
Chemical Property Profile of 4-acetoxy-2,5-dimethyl-3(2H)-furanone
Property Insights of 4-acetoxy-2,5-dimethyl-3(2H)-furanone
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-acetoxy-2,5-dimethyl-3(2H)-furanone. With a topological polar surface area (TPSA) of 52.6 Ų, 4-acetoxy-2,5-dimethyl-3(2H)-furanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-acetoxy-2,5-dimethyl-3(2H)-furanone has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-acetoxy-2,5-dimethyl-3(2H)-furanone?
The CAS number of 4-acetoxy-2,5-dimethyl-3(2H)-furanone is 4166-20-5.
What is the molecular formula of 4-acetoxy-2,5-dimethyl-3(2H)-furanone?
The molecular formula of 4-acetoxy-2,5-dimethyl-3(2H)-furanone is C8H10O4.
What is the molecular weight of 4-acetoxy-2,5-dimethyl-3(2H)-furanone?
The molecular weight of 4-acetoxy-2,5-dimethyl-3(2H)-furanone is 170.06 g/mol.
Where can I buy 4-acetoxy-2,5-dimethyl-3(2H)-furanone?
You can request a quote for 4-acetoxy-2,5-dimethyl-3(2H)-furanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-acetoxy-2,5-dimethyl-3(2H)-furanone?
Yes, KEHONG BIO provides custom synthesis services for 4-acetoxy-2,5-dimethyl-3(2H)-furanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.