5-(Acetyloxy)-5-methyl-2(5H)-furanone
TL;DR: 5-(Acetyloxy)-5-methyl-2(5H)-furanone (CAS 74982-59-5) 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.
(2-methyl-5-oxofuran-2-yl) acetate
Also Known As: 4-acetoxy-2-penten-4-olide, 5-(Acetyloxy)-5-methyl-2(5H)-furanone, (2-methyl-5-oxofuran-2-yl) acetate, 2(5H)-Furanone, 5-(acetyloxy)-5-methyl-, 2-Methyl-5-oxo-2,5-dihydrofuran-2-yl acetate
| Molecular Formula | C7H8O4 |
|---|---|
| Molecular Weight | 156.04 g/mol |
| LogP | 0.4 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 156.04225 |
| Heavy Atoms | 11 |
| Complexity | 231.0 |
Chemical Identifiers
| CAS Number | 74982-59-5 |
|---|---|
| SMILES | CC(=O)OC1(C=CC(=O)O1)C |
| InChIKey | MAPNCEPZDLQMMH-UHFFFAOYSA-N |
Product Overview
5-(Acetyloxy)-5-methyl-2(5H)-furanone (CAS 74982-59-5), with molecular formula C7H8O4 and molecular weight 156.04 g/mol. IUPAC: (2-methyl-5-oxofuran-2-yl) acetate.
Chemical Property Profile of 5-(Acetyloxy)-5-methyl-2(5H)-furanone
Property Insights of 5-(Acetyloxy)-5-methyl-2(5H)-furanone
The XLogP value of 0.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-(Acetyloxy)-5-methyl-2(5H)-furanone. With a topological polar surface area (TPSA) of 52.6 Ų, 5-(Acetyloxy)-5-methyl-2(5H)-furanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-(Acetyloxy)-5-methyl-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 5-(Acetyloxy)-5-methyl-2(5H)-furanone?
The CAS number of 5-(Acetyloxy)-5-methyl-2(5H)-furanone is 74982-59-5.
What is the molecular formula of 5-(Acetyloxy)-5-methyl-2(5H)-furanone?
The molecular formula of 5-(Acetyloxy)-5-methyl-2(5H)-furanone is C7H8O4.
What is the molecular weight of 5-(Acetyloxy)-5-methyl-2(5H)-furanone?
The molecular weight of 5-(Acetyloxy)-5-methyl-2(5H)-furanone is 156.04 g/mol.
Where can I buy 5-(Acetyloxy)-5-methyl-2(5H)-furanone?
You can request a quote for 5-(Acetyloxy)-5-methyl-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 5-(Acetyloxy)-5-methyl-2(5H)-furanone?
Yes, KEHONG BIO provides custom synthesis services for 5-(Acetyloxy)-5-methyl-2(5H)-furanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.