4-Oxooctadeca-9,11,13-trienoic acid
TL;DR: 4-Oxooctadeca-9,11,13-trienoic acid (CAS 623-99-4) 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.
4-oxooctadeca-9,11,13-trienoic acid
Also Known As: Licanic acid, 4-oxooctadeca-9,11,13-trienoic acid, 4-Oxo-9,11,13-octadecatrienoic acid, 4-oxo-9,11,13-octadecatrienoicacid, 9,11,13-Octadecatrienoicacid, 4-oxo-
| Molecular Formula | C18H28O3 |
|---|---|
| Molecular Weight | 292.20 g/mol |
| LogP | 4.4 |
| Topological Polar Surface Area | 54.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 13 |
| Exact Mass | 292.20386 |
| Heavy Atoms | 21 |
| Complexity | 365.0 |
Chemical Identifiers
| CAS Number | 623-99-4 |
|---|---|
| SMILES | CCCCC=CC=CC=CCCCCC(=O)CCC(=O)O |
| InChIKey | DTRGDWOPRCXRET-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 18 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Oxooctadeca-9,11,13-trienoic acid (CAS 623-99-4), with molecular formula C18H28O3 and molecular weight 292.20 g/mol. IUPAC: 4-oxooctadeca-9,11,13-trienoic acid.
Chemical Property Profile of 4-Oxooctadeca-9,11,13-trienoic acid
Property Insights of 4-Oxooctadeca-9,11,13-trienoic acid
The XLogP value of 4.4 indicates that 4-Oxooctadeca-9,11,13-trienoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.4 Ų, 4-Oxooctadeca-9,11,13-trienoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Oxooctadeca-9,11,13-trienoic acid has 1 hydrogen bond donor(s) and 3 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-Oxooctadeca-9,11,13-trienoic acid?
The CAS number of 4-Oxooctadeca-9,11,13-trienoic acid is 623-99-4.
What is the molecular formula of 4-Oxooctadeca-9,11,13-trienoic acid?
The molecular formula of 4-Oxooctadeca-9,11,13-trienoic acid is C18H28O3.
What is the molecular weight of 4-Oxooctadeca-9,11,13-trienoic acid?
The molecular weight of 4-Oxooctadeca-9,11,13-trienoic acid is 292.20 g/mol.
Where can I buy 4-Oxooctadeca-9,11,13-trienoic acid?
You can request a quote for 4-Oxooctadeca-9,11,13-trienoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Oxooctadeca-9,11,13-trienoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-Oxooctadeca-9,11,13-trienoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.