Ethyl diethoxyacetate
TL;DR: Ethyl diethoxyacetate (CAS 6065-82-3) is a chemical compound with molecular formula C8H16O4 and molecular weight 176.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2,2-diethoxyacetate
Also Known As: Ethyl diethoxyacetate, ethyl 2,2-diethoxyacetate, Ethyldiethoxyacetate, Acetic acid, diethoxy-, ethyl ester, Diethoxyacetic acid ethyl ester
| Molecular Formula | C8H16O4 |
|---|---|
| Molecular Weight | 176.10 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 44.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 176.10486 |
| Heavy Atoms | 12 |
| Complexity | 118.0 |
Chemical Identifiers
| CAS Number | 6065-82-3 |
|---|---|
| SMILES | CCOC(C(=O)OCC)OCC |
| InChIKey | XCLBIKIQSCTANZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 12 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethyl diethoxyacetate (CAS 6065-82-3), with molecular formula C8H16O4 and molecular weight 176.10 g/mol. IUPAC: ethyl 2,2-diethoxyacetate.
Chemical Property Profile of Ethyl diethoxyacetate
Property Insights of Ethyl diethoxyacetate
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl diethoxyacetate. With a topological polar surface area (TPSA) of 44.8 Ų, Ethyl diethoxyacetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl diethoxyacetate 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 diethoxyacetate?
The CAS number of Ethyl diethoxyacetate is 6065-82-3.
What is the molecular formula of Ethyl diethoxyacetate?
The molecular formula of Ethyl diethoxyacetate is C8H16O4.
What is the molecular weight of Ethyl diethoxyacetate?
The molecular weight of Ethyl diethoxyacetate is 176.10 g/mol.
Where can I buy Ethyl diethoxyacetate?
You can request a quote for Ethyl diethoxyacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl diethoxyacetate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl diethoxyacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.