Ethyl 2-(acetyloxy)-2-methylpropanoate
TL;DR: Ethyl 2-(acetyloxy)-2-methylpropanoate (CAS 6939-50-0) is a chemical compound with molecular formula C8H14O4 and molecular weight 174.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-acetyloxy-2-methylpropanoate
Also Known As: ethyl 2-(acetyloxy)-2-methylpropanoate, ethyl 2-acetyloxy-2-methylpropanoate, Propanoic acid, 2-(acetyloxy)-2-methyl-, ethyl ester, Propanoic acid,2-(acetyloxy)-2-methyl-, ethyl ester, RefChem:342471
| Molecular Formula | C8H14O4 |
|---|---|
| Molecular Weight | 174.09 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 174.0892 |
| Heavy Atoms | 12 |
| Complexity | 183.0 |
Chemical Identifiers
| CAS Number | 6939-50-0 |
|---|---|
| SMILES | CCOC(=O)C(C)(C)OC(=O)C |
| InChIKey | WDWFBYSNQIKPPY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethyl 2-(acetyloxy)-2-methylpropanoate (CAS 6939-50-0), with molecular formula C8H14O4 and molecular weight 174.09 g/mol. IUPAC: ethyl 2-acetyloxy-2-methylpropanoate.
Chemical Property Profile of Ethyl 2-(acetyloxy)-2-methylpropanoate
Property Insights of Ethyl 2-(acetyloxy)-2-methylpropanoate
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 2-(acetyloxy)-2-methylpropanoate. With a topological polar surface area (TPSA) of 52.6 Ų, Ethyl 2-(acetyloxy)-2-methylpropanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 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 Ethyl 2-(acetyloxy)-2-methylpropanoate?
The CAS number of Ethyl 2-(acetyloxy)-2-methylpropanoate is 6939-50-0.
What is the molecular formula of Ethyl 2-(acetyloxy)-2-methylpropanoate?
The molecular formula of Ethyl 2-(acetyloxy)-2-methylpropanoate is C8H14O4.
What is the molecular weight of Ethyl 2-(acetyloxy)-2-methylpropanoate?
The molecular weight of Ethyl 2-(acetyloxy)-2-methylpropanoate is 174.09 g/mol.
Where can I buy Ethyl 2-(acetyloxy)-2-methylpropanoate?
You can request a quote for Ethyl 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 Ethyl 2-(acetyloxy)-2-methylpropanoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-(acetyloxy)-2-methylpropanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.