12-羟基十八烷酸钡盐(2:1)
TL;DR: 12-羟基十八烷酸钡盐(2:1) (CAS 21598-22-1) is a chemical compound with molecular formula C36H70BaO6 and molecular weight 736.42 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
12-羟基十八烷酸钡盐(2:1)
barium(2+);bis(12-hydroxyoctadecanoate)
Also Known As: Barium 12-hydroxystearate, Barium 12-hydroxyoctadecanoate, barium(2+);12-hydroxyoctadecanoate, Octadecanoic acid, 12-hydroxy-, barium salt (2:1), barium(2+); 12-hydroxyoctadecanoate
| Molecular Formula | C36H70BaO6 |
|---|---|
| Molecular Weight | 736.42 g/mol |
| LogP | 7.56 |
| Topological Polar Surface Area | 121.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 30 |
| Exact Mass | 736.4225 |
| Heavy Atoms | 43 |
| Complexity | 223.0 |
Chemical Identifiers
| CAS Number | 21598-22-1 |
|---|---|
| SMILES | CCCCCCC(CCCCCCCCCCC(=O)[O-])O.CCCCCCC(CCCCCCCCCCC(=O)[O-])O.[Ba+2] |
| InChIKey | LHCFNZQTNGWZED-UHFFFAOYSA-L |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
12-羟基十八烷酸钡盐(2:1) (CAS 21598-22-1), with molecular formula C36H70BaO6 and molecular weight 736.42 g/mol. IUPAC: barium(2+);bis(12-hydroxyoctadecanoate).
Chemical Property Profile of 12-羟基十八烷酸钡盐(2:1)
Property Insights of 12-羟基十八烷酸钡盐(2:1)
The XLogP value of 7.56 indicates that 12-羟基十八烷酸钡盐(2:1) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 121.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 12-羟基十八烷酸钡盐(2:1). Following Lipinski's Rule of Five, 12-羟基十八烷酸钡盐(2:1) has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 12-羟基十八烷酸钡盐(2:1)?
The CAS number of 12-羟基十八烷酸钡盐(2:1) is 21598-22-1.
What is the molecular formula of 12-羟基十八烷酸钡盐(2:1)?
The molecular formula of 12-羟基十八烷酸钡盐(2:1) is C36H70BaO6.
What is the molecular weight of 12-羟基十八烷酸钡盐(2:1)?
The molecular weight of 12-羟基十八烷酸钡盐(2:1) is 736.42 g/mol.
Where can I buy 12-羟基十八烷酸钡盐(2:1)?
You can request a quote for 12-羟基十八烷酸钡盐(2:1) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 12-羟基十八烷酸钡盐(2:1)?
Yes, KEHONG BIO provides custom synthesis services for 12-羟基十八烷酸钡盐(2:1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.