Methyl 3-acetoxyacrylate
TL;DR: Methyl 3-acetoxyacrylate (CAS 53588-93-5) is a chemical compound with molecular formula C6H8O4 and molecular weight 144.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-acetyloxyprop-2-enoate
Also Known As: Methyl 3-acetoxyacrylate, bromomethyl ethyl ether, methyl 3-acetyloxyprop-2-enoate, methyl 3-(acetyloxy)prop-2-enoate, 2-Propenoic acid,3-(acetyloxy)-, methyl ester
| Molecular Formula | C6H8O4 |
|---|---|
| Molecular Weight | 144.04 g/mol |
| LogP | 0.1 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 144.04225 |
| Heavy Atoms | 10 |
| Complexity | 159.0 |
Chemical Identifiers
| CAS Number | 53588-93-5 |
|---|---|
| SMILES | CC(=O)OC=CC(=O)OC |
| InChIKey | MSQPGECJSAMXBT-UHFFFAOYSA-N |
Product Overview
Methyl 3-acetoxyacrylate (CAS 53588-93-5), with molecular formula C6H8O4 and molecular weight 144.04 g/mol. IUPAC: methyl 3-acetyloxyprop-2-enoate.
Chemical Property Profile of Methyl 3-acetoxyacrylate
Property Insights of Methyl 3-acetoxyacrylate
The XLogP value of 0.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 3-acetoxyacrylate. With a topological polar surface area (TPSA) of 52.6 Ų, Methyl 3-acetoxyacrylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 3-acetoxyacrylate 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 Methyl 3-acetoxyacrylate?
The CAS number of Methyl 3-acetoxyacrylate is 53588-93-5.
What is the molecular formula of Methyl 3-acetoxyacrylate?
The molecular formula of Methyl 3-acetoxyacrylate is C6H8O4.
What is the molecular weight of Methyl 3-acetoxyacrylate?
The molecular weight of Methyl 3-acetoxyacrylate is 144.04 g/mol.
Where can I buy Methyl 3-acetoxyacrylate?
You can request a quote for Methyl 3-acetoxyacrylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 3-acetoxyacrylate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 3-acetoxyacrylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.