Methyl 2-(acetyloxy)-2-methylpropanoate
TL;DR: Methyl 2-(acetyloxy)-2-methylpropanoate (CAS 57865-37-9) is a chemical compound with molecular formula C7H12O4 and molecular weight 160.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-acetyloxy-2-methylpropanoate
Also Known As: methyl 2-(acetyloxy)-2-methylpropanoate, methyl 2-acetyloxy-2-methylpropanoate, methyl 2-acetoxy-2-methylpropanoate, 2-Acetyloxyisobutyric acid methyl ester, alpha-Hydroxyisobutyric acid acetate methyl ester
| Molecular Formula | C7H12O4 |
|---|---|
| Molecular Weight | 160.07 g/mol |
| LogP | 0.6 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 160.07356 |
| Heavy Atoms | 11 |
| Complexity | 171.0 |
Chemical Identifiers
| CAS Number | 57865-37-9 |
|---|---|
| SMILES | CC(=O)OC(C)(C)C(=O)OC |
| InChIKey | OYUDDYMUZSIFDB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Methyl 2-(acetyloxy)-2-methylpropanoate (CAS 57865-37-9), with molecular formula C7H12O4 and molecular weight 160.07 g/mol. IUPAC: methyl 2-acetyloxy-2-methylpropanoate.
Chemical Property Profile of Methyl 2-(acetyloxy)-2-methylpropanoate
Property Insights of Methyl 2-(acetyloxy)-2-methylpropanoate
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 2-(acetyloxy)-2-methylpropanoate. With a topological polar surface area (TPSA) of 52.6 Ų, Methyl 2-(acetyloxy)-2-methylpropanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 2-(acetyloxy)-2-methylpropanoate 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 2-(acetyloxy)-2-methylpropanoate?
The CAS number of Methyl 2-(acetyloxy)-2-methylpropanoate is 57865-37-9.
What is the molecular formula of Methyl 2-(acetyloxy)-2-methylpropanoate?
The molecular formula of Methyl 2-(acetyloxy)-2-methylpropanoate is C7H12O4.
What is the molecular weight of Methyl 2-(acetyloxy)-2-methylpropanoate?
The molecular weight of Methyl 2-(acetyloxy)-2-methylpropanoate is 160.07 g/mol.
Where can I buy Methyl 2-(acetyloxy)-2-methylpropanoate?
You can request a quote for Methyl 2-(acetyloxy)-2-methylpropanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 2-(acetyloxy)-2-methylpropanoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-(acetyloxy)-2-methylpropanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.