Methyl (13E)-13-docosenoate
TL;DR: Methyl (13E)-13-docosenoate (CAS 56630-69-4) is a chemical compound with molecular formula C23H44O2 and molecular weight 352.33 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (E)-docos-13-enoate
Also Known As: methyl brassidate, methyl (E)-docos-13-enoate, 13-Docosenoic acid, methyl ester, Methyl (13E)-13-docosenoate, methyl docos-13-enoate
| Molecular Formula | C23H44O2 |
|---|---|
| Molecular Weight | 352.33 g/mol |
| LogP | 7.7573 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 19 |
| Exact Mass | 352.33414 |
| Heavy Atoms | 25 |
| Complexity | 296.46793 |
Chemical Identifiers
| CAS Number | 56630-69-4 |
|---|---|
| SMILES | CCCCCCCC/C=C/CCCCCCCCCCCC(=O)OC |
Product Overview
Methyl (13E)-13-docosenoate (CAS 56630-69-4), with molecular formula C23H44O2 and molecular weight 352.33 g/mol. IUPAC: methyl (E)-docos-13-enoate.
Chemical Property Profile of Methyl (13E)-13-docosenoate
Property Insights of Methyl (13E)-13-docosenoate
The XLogP value of 7.7573 indicates that Methyl (13E)-13-docosenoate 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 (13E)-13-docosenoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl (13E)-13-docosenoate 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 (13E)-13-docosenoate?
The CAS number of Methyl (13E)-13-docosenoate is 56630-69-4.
What is the molecular formula of Methyl (13E)-13-docosenoate?
The molecular formula of Methyl (13E)-13-docosenoate is C23H44O2.
What is the molecular weight of Methyl (13E)-13-docosenoate?
The molecular weight of Methyl (13E)-13-docosenoate is 352.33 g/mol.
Where can I buy Methyl (13E)-13-docosenoate?
You can request a quote for Methyl (13E)-13-docosenoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl (13E)-13-docosenoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl (13E)-13-docosenoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.