Ethyl docosahexaenate
TL;DR: Ethyl docosahexaenate (CAS 81926-94-5) is a chemical compound with molecular formula C24H36O2 and molecular weight 356.27 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl docosa-2,4,6,8,10,12-hexaenoate
Also Known As: ethyl docosahexaenate, DHA ethyl ester, Docosahexaenoic acid ethyl ester, ETHYLDOCOSAHEXAENOATE, ETHYL DOCOSA-2,4,6,8,10,12-HEXAENOATE
| Molecular Formula | C24H36O2 |
|---|---|
| Molecular Weight | 356.27 g/mol |
| LogP | 8.7 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 16 |
| Exact Mass | 356.27155 |
| Heavy Atoms | 26 |
| Complexity | 490.0 |
Chemical Identifiers
| CAS Number | 81926-94-5 |
|---|---|
| SMILES | CCCCCCCCCC=CC=CC=CC=CC=CC=CC(=O)OCC |
| InChIKey | TYLNXKAVUJJPMU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 14 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethyl docosahexaenate (CAS 81926-94-5), with molecular formula C24H36O2 and molecular weight 356.27 g/mol. IUPAC: ethyl docosa-2,4,6,8,10,12-hexaenoate.
Chemical Property Profile of Ethyl docosahexaenate
Property Insights of Ethyl docosahexaenate
The XLogP value of 8.7 indicates that Ethyl docosahexaenate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Ethyl docosahexaenate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl docosahexaenate has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Ethyl docosahexaenate?
The CAS number of Ethyl docosahexaenate is 81926-94-5.
What is the molecular formula of Ethyl docosahexaenate?
The molecular formula of Ethyl docosahexaenate is C24H36O2.
What is the molecular weight of Ethyl docosahexaenate?
The molecular weight of Ethyl docosahexaenate is 356.27 g/mol.
Where can I buy Ethyl docosahexaenate?
You can request a quote for Ethyl docosahexaenate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl docosahexaenate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl docosahexaenate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.