Octa-2,4,6-trienic acid
TL;DR: Octa-2,4,6-trienic acid (CAS 5205-32-3) is a chemical compound with molecular formula C8H10O2 and molecular weight 138.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
octa-2,4,6-trienoic acid
Also Known As: 2,4,6-Octatrienoic acid, Octa-2,4,6-trienoic acid, octa-2,4,6-trienic acid, NCI60_001203, RefChem:1093740
| Molecular Formula | C8H10O2 |
|---|---|
| Molecular Weight | 138.07 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 138.06808 |
| Heavy Atoms | 10 |
| Complexity | 176.0 |
Chemical Identifiers
| CAS Number | 5205-32-3 |
|---|---|
| SMILES | CC=CC=CC=CC(=O)O |
| InChIKey | IAAPVNQZSBLWKH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Octa-2,4,6-trienic acid (CAS 5205-32-3), with molecular formula C8H10O2 and molecular weight 138.07 g/mol. IUPAC: octa-2,4,6-trienoic acid.
Chemical Property Profile of Octa-2,4,6-trienic acid
Property Insights of Octa-2,4,6-trienic acid
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Octa-2,4,6-trienic acid. With a topological polar surface area (TPSA) of 37.3 Ų, Octa-2,4,6-trienic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Octa-2,4,6-trienic 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 Octa-2,4,6-trienic acid?
The CAS number of Octa-2,4,6-trienic acid is 5205-32-3.
What is the molecular formula of Octa-2,4,6-trienic acid?
The molecular formula of Octa-2,4,6-trienic acid is C8H10O2.
What is the molecular weight of Octa-2,4,6-trienic acid?
The molecular weight of Octa-2,4,6-trienic acid is 138.07 g/mol.
Where can I buy Octa-2,4,6-trienic acid?
You can request a quote for Octa-2,4,6-trienic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Octa-2,4,6-trienic acid?
Yes, KEHONG BIO provides custom synthesis services for Octa-2,4,6-trienic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.