Barium dioleate
TL;DR: Barium dioleate (CAS 591-65-1) is a chemical compound with molecular formula C36H66BaO4 and molecular weight 700.40 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
barium(2+);bis(octadec-9-enoate)
Also Known As: Barium dioleate, BARIUM OLEATE, barium(2+); octadec-9-enoate, C18H34O2.1/2Ba, C18-H34-O2.1/2Ba
| Molecular Formula | C36H66BaO4 |
|---|---|
| Molecular Weight | 700.40 g/mol |
| LogP | 9.1668 |
| Topological Polar Surface Area | 80.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 28 |
| Exact Mass | 700.40137 |
| Heavy Atoms | 41 |
| Complexity | 228.0 |
Chemical Identifiers
| CAS Number | 591-65-1 |
|---|---|
| SMILES | CCCCCCCCC=CCCCCCCCC(=O)[O-].CCCCCCCCC=CCCCCCCCC(=O)[O-].[Ba+2] |
| InChIKey | BHDOPTZJCSDVJE-UHFFFAOYSA-L |
Patent-Derived Application Labels
Derived from 16 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Barium dioleate (CAS 591-65-1), with molecular formula C36H66BaO4 and molecular weight 700.40 g/mol. IUPAC: barium(2+);bis(octadec-9-enoate).
Chemical Property Profile of Barium dioleate
Property Insights of Barium dioleate
The XLogP value of 9.1668 indicates that Barium dioleate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 80.3 Ų falls within the moderate polarity range, balancing permeability and solubility for Barium dioleate. Following Lipinski's Rule of Five, Barium dioleate has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Barium dioleate?
The CAS number of Barium dioleate is 591-65-1.
What is the molecular formula of Barium dioleate?
The molecular formula of Barium dioleate is C36H66BaO4.
What is the molecular weight of Barium dioleate?
The molecular weight of Barium dioleate is 700.40 g/mol.
Where can I buy Barium dioleate?
You can request a quote for Barium dioleate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Barium dioleate?
Yes, KEHONG BIO provides custom synthesis services for Barium dioleate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.