ethyl (9E,12E)-octadeca-9,12-dieneperoxoate
TL;DR: ethyl (9E,12E)-octadeca-9,12-dieneperoxoate (CAS 1119-76-2) is a chemical compound with molecular formula C20H36O3 and molecular weight 324.27 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl (9E,12E)-octadeca-9,12-dieneperoxoate
Also Known As: Ethyl linoleate peroxide, Peroxylinoleic acid, ethyl ester, ethyl (9E,12E)-octadeca-9,12-dieneperoxoate, 9,12-Octadecadieneperoxoic acid, ethyl ester, (Z,Z)-
| Molecular Formula | C20H36O3 |
|---|---|
| Molecular Weight | 324.27 g/mol |
| LogP | 6.2946 |
| Topological Polar Surface Area | 35.53 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 16 |
| Exact Mass | 324.26645 |
| Heavy Atoms | 23 |
| Complexity | 308.00864 |
Chemical Identifiers
| CAS Number | 1119-76-2 |
|---|---|
| SMILES | CCCCC/C=C/C/C=C/CCCCCCCC(=O)OOCC |
Product Overview
ethyl (9E,12E)-octadeca-9,12-dieneperoxoate (CAS 1119-76-2), with molecular formula C20H36O3 and molecular weight 324.27 g/mol. IUPAC: ethyl (9E,12E)-octadeca-9,12-dieneperoxoate.
Chemical Property Profile of ethyl (9E,12E)-octadeca-9,12-dieneperoxoate
Property Insights of ethyl (9E,12E)-octadeca-9,12-dieneperoxoate
The XLogP value of 6.2946 indicates that ethyl (9E,12E)-octadeca-9,12-dieneperoxoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.53 Ų, ethyl (9E,12E)-octadeca-9,12-dieneperoxoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ethyl (9E,12E)-octadeca-9,12-dieneperoxoate 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 (9E,12E)-octadeca-9,12-dieneperoxoate?
The CAS number of ethyl (9E,12E)-octadeca-9,12-dieneperoxoate is 1119-76-2.
What is the molecular formula of ethyl (9E,12E)-octadeca-9,12-dieneperoxoate?
The molecular formula of ethyl (9E,12E)-octadeca-9,12-dieneperoxoate is C20H36O3.
What is the molecular weight of ethyl (9E,12E)-octadeca-9,12-dieneperoxoate?
The molecular weight of ethyl (9E,12E)-octadeca-9,12-dieneperoxoate is 324.27 g/mol.
Where can I buy ethyl (9E,12E)-octadeca-9,12-dieneperoxoate?
You can request a quote for ethyl (9E,12E)-octadeca-9,12-dieneperoxoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl (9E,12E)-octadeca-9,12-dieneperoxoate?
Yes, KEHONG BIO provides custom synthesis services for ethyl (9E,12E)-octadeca-9,12-dieneperoxoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.