8-(4-Oxo-5-pent-2-enylcyclopent-2-en-1-yl)octanoic acid
TL;DR: 8-(4-Oxo-5-pent-2-enylcyclopent-2-en-1-yl)octanoic acid (CAS 778-65-4) 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.
8-(4-oxo-5-pent-2-enylcyclopent-2-en-1-yl)octanoic acid
Also Known As: 12-Oxo-phytodienoic acid, o-Phytodienoic acid, 12-Oxo phytodienoic acid, 12-Oxo-pda, 12-Oxophytodienoic acid
| Molecular Formula | C18H28O3 |
|---|---|
| Molecular Weight | 292.20 g/mol |
| LogP | 4.7 |
| Topological Polar Surface Area | 54.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 11 |
| Exact Mass | 292.20386 |
| Heavy Atoms | 21 |
| Complexity | 382.0 |
Chemical Identifiers
| CAS Number | 778-65-4 |
|---|---|
| SMILES | CCC=CCC1C(C=CC1=O)CCCCCCCC(=O)O |
| InChIKey | PMTMAFAPLCGXGK-UHFFFAOYSA-N |
Product Overview
8-(4-Oxo-5-pent-2-enylcyclopent-2-en-1-yl)octanoic acid (CAS 778-65-4), with molecular formula C18H28O3 and molecular weight 292.20 g/mol. IUPAC: 8-(4-oxo-5-pent-2-enylcyclopent-2-en-1-yl)octanoic acid.
Chemical Property Profile of 8-(4-Oxo-5-pent-2-enylcyclopent-2-en-1-yl)octanoic acid
Property Insights of 8-(4-Oxo-5-pent-2-enylcyclopent-2-en-1-yl)octanoic acid
The XLogP value of 4.7 indicates that 8-(4-Oxo-5-pent-2-enylcyclopent-2-en-1-yl)octanoic 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, 8-(4-Oxo-5-pent-2-enylcyclopent-2-en-1-yl)octanoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 8-(4-Oxo-5-pent-2-enylcyclopent-2-en-1-yl)octanoic 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 8-(4-Oxo-5-pent-2-enylcyclopent-2-en-1-yl)octanoic acid?
The CAS number of 8-(4-Oxo-5-pent-2-enylcyclopent-2-en-1-yl)octanoic acid is 778-65-4.
What is the molecular formula of 8-(4-Oxo-5-pent-2-enylcyclopent-2-en-1-yl)octanoic acid?
The molecular formula of 8-(4-Oxo-5-pent-2-enylcyclopent-2-en-1-yl)octanoic acid is C18H28O3.
What is the molecular weight of 8-(4-Oxo-5-pent-2-enylcyclopent-2-en-1-yl)octanoic acid?
The molecular weight of 8-(4-Oxo-5-pent-2-enylcyclopent-2-en-1-yl)octanoic acid is 292.20 g/mol.
Where can I buy 8-(4-Oxo-5-pent-2-enylcyclopent-2-en-1-yl)octanoic acid?
You can request a quote for 8-(4-Oxo-5-pent-2-enylcyclopent-2-en-1-yl)octanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 8-(4-Oxo-5-pent-2-enylcyclopent-2-en-1-yl)octanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 8-(4-Oxo-5-pent-2-enylcyclopent-2-en-1-yl)octanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.