Methyl 3-acetoxy-2-methylenebutyrate
TL;DR: Methyl 3-acetoxy-2-methylenebutyrate (CAS 22787-68-4) is a chemical compound with molecular formula C8H12O4 and molecular weight 172.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-acetyloxy-2-methylidenebutanoate
Also Known As: Methyl 3-acetoxy-2-methylenebutyrate, starbld0036396, methyl 3-acetyloxy-2-methylidenebutanoate, methyl 3-acetoxy-2-methylenebutanoate, methyl 2-(1-acetoxyethyl)acrylate
| Molecular Formula | C8H12O4 |
|---|---|
| Molecular Weight | 172.07 g/mol |
| LogP | 0.6672 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 172.07356 |
| Heavy Atoms | 12 |
| Complexity | 207.1034 |
Chemical Identifiers
| CAS Number | 22787-68-4 |
|---|---|
| SMILES | CC(C(=C)C(=O)OC)OC(=O)C |
Product Overview
Methyl 3-acetoxy-2-methylenebutyrate (CAS 22787-68-4), with molecular formula C8H12O4 and molecular weight 172.07 g/mol. IUPAC: methyl 3-acetyloxy-2-methylidenebutanoate.
Chemical Property Profile of Methyl 3-acetoxy-2-methylenebutyrate
Property Insights of Methyl 3-acetoxy-2-methylenebutyrate
The XLogP value of 0.6672 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 3-acetoxy-2-methylenebutyrate. With a topological polar surface area (TPSA) of 52.6 Ų, Methyl 3-acetoxy-2-methylenebutyrate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 3-acetoxy-2-methylenebutyrate 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-acetoxy-2-methylenebutyrate?
The CAS number of Methyl 3-acetoxy-2-methylenebutyrate is 22787-68-4.
What is the molecular formula of Methyl 3-acetoxy-2-methylenebutyrate?
The molecular formula of Methyl 3-acetoxy-2-methylenebutyrate is C8H12O4.
What is the molecular weight of Methyl 3-acetoxy-2-methylenebutyrate?
The molecular weight of Methyl 3-acetoxy-2-methylenebutyrate is 172.07 g/mol.
Where can I buy Methyl 3-acetoxy-2-methylenebutyrate?
You can request a quote for Methyl 3-acetoxy-2-methylenebutyrate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 3-acetoxy-2-methylenebutyrate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 3-acetoxy-2-methylenebutyrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.