Zirconium octanoate
TL;DR: Zirconium octanoate (CAS 5206-47-3) is a chemical compound with molecular formula C32H60O8Zr and molecular weight 662.33 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tetrakis(octanoate);zirconium(4+)
Also Known As: Zirconium octanoate, Zirconium octoate, zirconium caprylate, Octanoic acid, zirconium salt, borane-diisoamyl sulfide
| Molecular Formula | C32H60O8Zr |
|---|---|
| Molecular Weight | 662.33 g/mol |
| LogP | 4.3847 |
| Topological Polar Surface Area | 160.52 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 24 |
| Exact Mass | 662.3335 |
| Heavy Atoms | 41 |
| Complexity | 459.81604 |
Chemical Identifiers
| CAS Number | 5206-47-3 |
|---|---|
| SMILES | CCCCCCCC(=O)[O-].CCCCCCCC(=O)[O-].CCCCCCCC(=O)[O-].CCCCCCCC(=O)[O-].[Zr+4] |
Product Overview
Zirconium octanoate (CAS 5206-47-3), with molecular formula C32H60O8Zr and molecular weight 662.33 g/mol. IUPAC: tetrakis(octanoate);zirconium(4+).
Chemical Property Profile of Zirconium octanoate
Property Insights of Zirconium octanoate
The XLogP value of 4.3847 indicates that Zirconium octanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 160.52 Ų indicates high polarity, suggesting Zirconium octanoate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Zirconium octanoate has 0 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Zirconium octanoate?
The CAS number of Zirconium octanoate is 5206-47-3.
What is the molecular formula of Zirconium octanoate?
The molecular formula of Zirconium octanoate is C32H60O8Zr.
What is the molecular weight of Zirconium octanoate?
The molecular weight of Zirconium octanoate is 662.33 g/mol.
Where can I buy Zirconium octanoate?
You can request a quote for Zirconium octanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Zirconium octanoate?
Yes, KEHONG BIO provides custom synthesis services for Zirconium octanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.