Ethyl stearoylacetate
TL;DR: Ethyl stearoylacetate (CAS 7146-82-9) is a chemical compound with molecular formula C22H42O3 and molecular weight 354.31 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-oxoicosanoate
Also Known As: Ethyl 3-oxoicosanoate, ETHYL STEAROYLACETATE, Ethyl 3-oxoeicosanoate, Ethylstearoylacetate, Eicosanoic acid, 3-oxo-, ethyl ester
| Molecular Formula | C22H42O3 |
|---|---|
| Molecular Weight | 354.31 g/mol |
| LogP | 8.7 |
| Topological Polar Surface Area | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 20 |
| Exact Mass | 354.3134 |
| Heavy Atoms | 25 |
| Complexity | 312.0 |
Chemical Identifiers
| CAS Number | 7146-82-9 |
|---|---|
| SMILES | CCCCCCCCCCCCCCCCCC(=O)CC(=O)OCC |
| InChIKey | ZSZUZHXUJXYSMM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethyl stearoylacetate (CAS 7146-82-9), with molecular formula C22H42O3 and molecular weight 354.31 g/mol. IUPAC: ethyl 3-oxoicosanoate.
Chemical Property Profile of Ethyl stearoylacetate
Property Insights of Ethyl stearoylacetate
The XLogP value of 8.7 indicates that Ethyl stearoylacetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 43.4 Ų, Ethyl stearoylacetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl stearoylacetate has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Ethyl stearoylacetate?
The CAS number of Ethyl stearoylacetate is 7146-82-9.
What is the molecular formula of Ethyl stearoylacetate?
The molecular formula of Ethyl stearoylacetate is C22H42O3.
What is the molecular weight of Ethyl stearoylacetate?
The molecular weight of Ethyl stearoylacetate is 354.31 g/mol.
Where can I buy Ethyl stearoylacetate?
You can request a quote for Ethyl stearoylacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl stearoylacetate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl stearoylacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.