Methyl docosahexenoate
TL;DR: Methyl docosahexenoate (CAS 28061-46-3) is a chemical compound with molecular formula C23H34O2 and molecular weight 342.26 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl docosa-2,4,6,8,10,12-hexaenoate
Also Known As: methyl docosahexenoate, Methyl (2E,4E,6E,8E,10E,12E)-docosa-2,4,6,8,10,12-hexaenoate, 4,7,10,13,16,19-Docosahexaenoicacid, methyl ester, (4Z,7Z,10Z,13Z,16Z,19Z)-
| Molecular Formula | C23H34O2 |
|---|---|
| Molecular Weight | 342.26 g/mol |
| LogP | 8.4 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 15 |
| Exact Mass | 342.2559 |
| Heavy Atoms | 25 |
| Complexity | 476.0 |
Chemical Identifiers
| CAS Number | 28061-46-3 |
|---|---|
| SMILES | CCCCCCCCCC=CC=CC=CC=CC=CC=CC(=O)OC |
| InChIKey | LUYYTKKXYNRVHQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Methyl docosahexenoate (CAS 28061-46-3), with molecular formula C23H34O2 and molecular weight 342.26 g/mol. IUPAC: methyl docosa-2,4,6,8,10,12-hexaenoate.
Chemical Property Profile of Methyl docosahexenoate
Property Insights of Methyl docosahexenoate
The XLogP value of 8.4 indicates that Methyl docosahexenoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Methyl docosahexenoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl docosahexenoate 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 Methyl docosahexenoate?
The CAS number of Methyl docosahexenoate is 28061-46-3.
What is the molecular formula of Methyl docosahexenoate?
The molecular formula of Methyl docosahexenoate is C23H34O2.
What is the molecular weight of Methyl docosahexenoate?
The molecular weight of Methyl docosahexenoate is 342.26 g/mol.
Where can I buy Methyl docosahexenoate?
You can request a quote for Methyl docosahexenoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl docosahexenoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl docosahexenoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.