Ethyl ethoxyacetate
TL;DR: Ethyl ethoxyacetate (CAS 817-95-8) is a chemical compound with molecular formula C6H12O3 and molecular weight 132.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-ethoxyacetate
Also Known As: Ethyl ethoxyacetate, Ethyl 2-ethoxyacetate, Ethylethoxyacetate, Ethoxyacetic acid ethyl ester, Acetic acid, ethoxy-, ethyl ester
| Molecular Formula | C6H12O3 |
|---|---|
| Molecular Weight | 132.08 g/mol |
| LogP | 0.7 |
| Topological Polar Surface Area | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 132.07864 |
| Heavy Atoms | 9 |
| Complexity | 80.0 |
Chemical Identifiers
| CAS Number | 817-95-8 |
|---|---|
| SMILES | CCOCC(=O)OCC |
| InChIKey | CKSRFHWWBKRUKA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 21 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethyl ethoxyacetate (CAS 817-95-8), with molecular formula C6H12O3 and molecular weight 132.08 g/mol. IUPAC: ethyl 2-ethoxyacetate.
Chemical Property Profile of Ethyl ethoxyacetate
Property Insights of Ethyl ethoxyacetate
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl ethoxyacetate. With a topological polar surface area (TPSA) of 35.5 Ų, Ethyl ethoxyacetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl ethoxyacetate 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 Ethyl ethoxyacetate?
The CAS number of Ethyl ethoxyacetate is 817-95-8.
What is the molecular formula of Ethyl ethoxyacetate?
The molecular formula of Ethyl ethoxyacetate is C6H12O3.
What is the molecular weight of Ethyl ethoxyacetate?
The molecular weight of Ethyl ethoxyacetate is 132.08 g/mol.
Where can I buy Ethyl ethoxyacetate?
You can request a quote for Ethyl ethoxyacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl ethoxyacetate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl ethoxyacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.