4-(Acetoxymethyl)-2(5H)-furanone
TL;DR: 4-(Acetoxymethyl)-2(5H)-furanone (CAS 81189-55-1) is a chemical compound with molecular formula C7H8O4 and molecular weight 156.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5-oxo-2H-furan-3-yl)methyl acetate
Also Known As: 4-(Acetoxymethyl)-2(5H)-furanone, (5-oxo-2H-furan-3-yl)methyl acetate, (2-oxo-3H-furan-4-yl)methyl acetate, (5-oxo-2,5-dihydrofuran-3-yl)methyl acetate, 4-(Acetoxymethyl)furan-2(5H)-one
| Molecular Formula | C7H8O4 |
|---|---|
| Molecular Weight | 156.04 g/mol |
| LogP | -0.5 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 156.04225 |
| Heavy Atoms | 11 |
| Complexity | 216.0 |
Chemical Identifiers
| CAS Number | 81189-55-1 |
|---|---|
| SMILES | CC(=O)OCC1=CC(=O)OC1 |
| InChIKey | YVHBEOMCXBXWAH-UHFFFAOYSA-N |
Product Overview
4-(Acetoxymethyl)-2(5H)-furanone (CAS 81189-55-1), with molecular formula C7H8O4 and molecular weight 156.04 g/mol. IUPAC: (5-oxo-2H-furan-3-yl)methyl acetate.
Chemical Property Profile of 4-(Acetoxymethyl)-2(5H)-furanone
Property Insights of 4-(Acetoxymethyl)-2(5H)-furanone
The XLogP value of -0.5 indicates that 4-(Acetoxymethyl)-2(5H)-furanone is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 52.6 Ų, 4-(Acetoxymethyl)-2(5H)-furanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(Acetoxymethyl)-2(5H)-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-(Acetoxymethyl)-2(5H)-furanone?
The CAS number of 4-(Acetoxymethyl)-2(5H)-furanone is 81189-55-1.
What is the molecular formula of 4-(Acetoxymethyl)-2(5H)-furanone?
The molecular formula of 4-(Acetoxymethyl)-2(5H)-furanone is C7H8O4.
What is the molecular weight of 4-(Acetoxymethyl)-2(5H)-furanone?
The molecular weight of 4-(Acetoxymethyl)-2(5H)-furanone is 156.04 g/mol.
Where can I buy 4-(Acetoxymethyl)-2(5H)-furanone?
You can request a quote for 4-(Acetoxymethyl)-2(5H)-furanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(Acetoxymethyl)-2(5H)-furanone?
Yes, KEHONG BIO provides custom synthesis services for 4-(Acetoxymethyl)-2(5H)-furanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.