4-Oxo-9,11,13-octadecatrienoic acid
TL;DR: 4-Oxo-9,11,13-octadecatrienoic acid (CAS 690374-06-2) is a chemical compound with molecular formula C18H28O3 and molecular weight 292.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(9E,11E,13E)-4-oxooctadeca-9,11,13-trienoic acid
Also Known As: Licanic acid, Couepic acid, beta-Licanic acid, 4-Oxo-9,11,13-octadecatrienoic acid, EINECS 210-824-4
| Molecular Formula | C18H28O3 |
|---|---|
| Molecular Weight | 292.20 g/mol |
| LogP | 4.8395 |
| Topological Polar Surface Area | 54.37 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 13 |
| Exact Mass | 292.20386 |
| Heavy Atoms | 21 |
| Complexity | 364.65973 |
Chemical Identifiers
| CAS Number | 690374-06-2 |
|---|---|
| SMILES | CCCC/C=C/C=C/C=C/CCCCC(=O)CCC(=O)O |
Product Overview
4-Oxo-9,11,13-octadecatrienoic acid (CAS 690374-06-2), with molecular formula C18H28O3 and molecular weight 292.20 g/mol. IUPAC: (9E,11E,13E)-4-oxooctadeca-9,11,13-trienoic acid.
Chemical Property Profile of 4-Oxo-9,11,13-octadecatrienoic acid
Property Insights of 4-Oxo-9,11,13-octadecatrienoic acid
The XLogP value of 4.8395 indicates that 4-Oxo-9,11,13-octadecatrienoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.37 Ų, 4-Oxo-9,11,13-octadecatrienoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Oxo-9,11,13-octadecatrienoic acid has 1 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-Oxo-9,11,13-octadecatrienoic acid?
The CAS number of 4-Oxo-9,11,13-octadecatrienoic acid is 690374-06-2.
What is the molecular formula of 4-Oxo-9,11,13-octadecatrienoic acid?
The molecular formula of 4-Oxo-9,11,13-octadecatrienoic acid is C18H28O3.
What is the molecular weight of 4-Oxo-9,11,13-octadecatrienoic acid?
The molecular weight of 4-Oxo-9,11,13-octadecatrienoic acid is 292.20 g/mol.
Where can I buy 4-Oxo-9,11,13-octadecatrienoic acid?
You can request a quote for 4-Oxo-9,11,13-octadecatrienoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Oxo-9,11,13-octadecatrienoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-Oxo-9,11,13-octadecatrienoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.