Ethyl erucate
TL;DR: Ethyl erucate (CAS 1394295-82-9) is a chemical compound with molecular formula C24H46O2 and molecular weight 366.35 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl (Z)-docos-13-enoate
Also Known As: Ethyl erucate, Erucic acid ethyl ester, ethyl docos-13-enoate, Ethyl (Z)-docos-13-enoate, ethyldocos-13-enoate
| Molecular Formula | C24H46O2 |
|---|---|
| Molecular Weight | 366.35 g/mol |
| LogP | 8.1474 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 20 |
| Exact Mass | 366.3498 |
| Heavy Atoms | 26 |
| Complexity | 309.3325 |
Chemical Identifiers
| CAS Number | 1394295-82-9 |
|---|---|
| SMILES | CCCCCCCC/C=C\CCCCCCCCCCCC(=O)OCC |
Product Overview
Ethyl erucate (CAS 1394295-82-9), with molecular formula C24H46O2 and molecular weight 366.35 g/mol. IUPAC: ethyl (Z)-docos-13-enoate.
Chemical Property Profile of Ethyl erucate
Property Insights of Ethyl erucate
The XLogP value of 8.1474 indicates that Ethyl erucate 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 erucate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl erucate 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 erucate?
The CAS number of Ethyl erucate is 1394295-82-9.
What is the molecular formula of Ethyl erucate?
The molecular formula of Ethyl erucate is C24H46O2.
What is the molecular weight of Ethyl erucate?
The molecular weight of Ethyl erucate is 366.35 g/mol.
Where can I buy Ethyl erucate?
You can request a quote for Ethyl erucate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl erucate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl erucate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.