Caprylic acid, barium salt
TL;DR: Caprylic acid, barium salt (CAS 4696-54-2) is a chemical compound with molecular formula C16H30BaO4 and molecular weight 424.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
barium(2+);bis(octanoate)
Also Known As: Barium octanoate, Barium octoate, Barium caprylate, Nikkaocthix Barium, Barium dioctanoate
| Molecular Formula | C16H30BaO4 |
|---|---|
| Molecular Weight | 424.12 g/mol |
| LogP | 1.81 |
| Topological Polar Surface Area | 80.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 10 |
| Exact Mass | 424.11966 |
| Heavy Atoms | 21 |
| Complexity | 83.0 |
Chemical Identifiers
| CAS Number | 4696-54-2 |
|---|---|
| SMILES | CCCCCCCC(=O)[O-].CCCCCCCC(=O)[O-].[Ba+2] |
| InChIKey | PJUKKJYOSBWEQO-UHFFFAOYSA-L |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Caprylic acid, barium salt (CAS 4696-54-2), with molecular formula C16H30BaO4 and molecular weight 424.12 g/mol. IUPAC: barium(2+);bis(octanoate).
Chemical Property Profile of Caprylic acid, barium salt
Property Insights of Caprylic acid, barium salt
The XLogP value of 1.81 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Caprylic acid, barium salt. The TPSA of 80.3 Ų falls within the moderate polarity range, balancing permeability and solubility for Caprylic acid, barium salt. Following Lipinski's Rule of Five, Caprylic acid, barium salt has 0 hydrogen bond donor(s) and 4 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 Caprylic acid, barium salt?
The CAS number of Caprylic acid, barium salt is 4696-54-2.
What is the molecular formula of Caprylic acid, barium salt?
The molecular formula of Caprylic acid, barium salt is C16H30BaO4.
What is the molecular weight of Caprylic acid, barium salt?
The molecular weight of Caprylic acid, barium salt is 424.12 g/mol.
Where can I buy Caprylic acid, barium salt?
You can request a quote for Caprylic acid, barium salt directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Caprylic acid, barium salt?
Yes, KEHONG BIO provides custom synthesis services for Caprylic acid, barium salt and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.