Zirconium(4+) neodecanoate
TL;DR: Zirconium(4+) neodecanoate (CAS 39049-04-2) is a chemical compound with molecular formula C40H76O8Zr and molecular weight 774.46 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tetrakis(7,7-dimethyloctanoate);zirconium(4+)
Also Known As: Zirconium neodecanoate, Zirconium(4+) neodecanoate, EINECS 257-314-8, neodecanoicacid,zirconiumsalt, Neodecanoic acid, zirconium salt
| Molecular Formula | C40H76O8Zr |
|---|---|
| Molecular Weight | 774.46 g/mol |
| LogP | 6.9291 |
| Topological Polar Surface Area | 160.52 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 20 |
| Exact Mass | 774.45874 |
| Heavy Atoms | 49 |
| Complexity | 676.0995 |
Chemical Identifiers
| CAS Number | 39049-04-2 |
|---|---|
| SMILES | CC(C)(C)CCCCCC(=O)[O-].CC(C)(C)CCCCCC(=O)[O-].CC(C)(C)CCCCCC(=O)[O-].CC(C)(C)CCCCCC(=O)[O-].[Zr+4] |
Product Overview
Zirconium(4+) neodecanoate (CAS 39049-04-2), with molecular formula C40H76O8Zr and molecular weight 774.46 g/mol. IUPAC: tetrakis(7,7-dimethyloctanoate);zirconium(4+).
Chemical Property Profile of Zirconium(4+) neodecanoate
Property Insights of Zirconium(4+) neodecanoate
The XLogP value of 6.9291 indicates that Zirconium(4+) neodecanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 160.52 Ų indicates high polarity, suggesting Zirconium(4+) neodecanoate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Zirconium(4+) neodecanoate 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(4+) neodecanoate?
The CAS number of Zirconium(4+) neodecanoate is 39049-04-2.
What is the molecular formula of Zirconium(4+) neodecanoate?
The molecular formula of Zirconium(4+) neodecanoate is C40H76O8Zr.
What is the molecular weight of Zirconium(4+) neodecanoate?
The molecular weight of Zirconium(4+) neodecanoate is 774.46 g/mol.
Where can I buy Zirconium(4+) neodecanoate?
You can request a quote for Zirconium(4+) neodecanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Zirconium(4+) neodecanoate?
Yes, KEHONG BIO provides custom synthesis services for Zirconium(4+) neodecanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.