Acetoxymethyl Vinyl Ketone
TL;DR: Acetoxymethyl Vinyl Ketone (CAS 38982-28-4) is a chemical compound with molecular formula C6H8O3 and molecular weight 128.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-oxobut-3-enyl acetate
Also Known As: ACETOXYMETHYL VINYL KETONE, 2-oxobut-3-enyl acetate, 2-OXOBUT-3-EN-1-YL ACETATE, Vinyl Acetoxymethyl Ketone, ghl.PD_Mitscher_leg0.411
| Molecular Formula | C6H8O3 |
|---|---|
| Molecular Weight | 128.05 g/mol |
| LogP | 0.3046 |
| Topological Polar Surface Area | 43.37 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 128.04735 |
| Heavy Atoms | 9 |
| Complexity | 137.2384 |
Chemical Identifiers
| CAS Number | 38982-28-4 |
|---|---|
| SMILES | CC(=O)OCC(=O)C=C |
Product Overview
Acetoxymethyl Vinyl Ketone (CAS 38982-28-4), with molecular formula C6H8O3 and molecular weight 128.05 g/mol. IUPAC: 2-oxobut-3-enyl acetate.
Chemical Property Profile of Acetoxymethyl Vinyl Ketone
Property Insights of Acetoxymethyl Vinyl Ketone
The XLogP value of 0.3046 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Acetoxymethyl Vinyl Ketone. With a topological polar surface area (TPSA) of 43.37 Ų, Acetoxymethyl Vinyl Ketone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Acetoxymethyl Vinyl Ketone 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
Frequently Asked Questions
What is the CAS number of Acetoxymethyl Vinyl Ketone?
The CAS number of Acetoxymethyl Vinyl Ketone is 38982-28-4.
What is the molecular formula of Acetoxymethyl Vinyl Ketone?
The molecular formula of Acetoxymethyl Vinyl Ketone is C6H8O3.
What is the molecular weight of Acetoxymethyl Vinyl Ketone?
The molecular weight of Acetoxymethyl Vinyl Ketone is 128.05 g/mol.
Where can I buy Acetoxymethyl Vinyl Ketone?
You can request a quote for Acetoxymethyl Vinyl Ketone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Acetoxymethyl Vinyl Ketone?
Yes, KEHONG BIO provides custom synthesis services for Acetoxymethyl Vinyl Ketone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.