Hexanoic acid, barium salt
TL;DR: Hexanoic acid, barium salt (CAS 24557-05-9) is a chemical compound with molecular formula C12H22BaO4 and molecular weight 368.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
barium(2+);bis(hexanoate)
Also Known As: Barium caproate, barium(2+); hexanoate, hexanoic acid, barium salt, RefChem:922933
| Molecular Formula | C12H22BaO4 |
|---|---|
| Molecular Weight | 368.06 g/mol |
| LogP | 0.2524 |
| Topological Polar Surface Area | 80.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 368.05707 |
| Heavy Atoms | 17 |
| Complexity | 63.0 |
Chemical Identifiers
| CAS Number | 24557-05-9 |
|---|---|
| SMILES | CCCCCC(=O)[O-].CCCCCC(=O)[O-].[Ba+2] |
| InChIKey | YIXUBKJRRPSDRB-UHFFFAOYSA-L |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Hexanoic acid, barium salt (CAS 24557-05-9), with molecular formula C12H22BaO4 and molecular weight 368.06 g/mol. IUPAC: barium(2+);bis(hexanoate).
Chemical Property Profile of Hexanoic acid, barium salt
Property Insights of Hexanoic acid, barium salt
The XLogP value of 0.2524 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Hexanoic acid, barium salt. The TPSA of 80.3 Ų falls within the moderate polarity range, balancing permeability and solubility for Hexanoic acid, barium salt. Following Lipinski's Rule of Five, Hexanoic 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 Hexanoic acid, barium salt?
The CAS number of Hexanoic acid, barium salt is 24557-05-9.
What is the molecular formula of Hexanoic acid, barium salt?
The molecular formula of Hexanoic acid, barium salt is C12H22BaO4.
What is the molecular weight of Hexanoic acid, barium salt?
The molecular weight of Hexanoic acid, barium salt is 368.06 g/mol.
Where can I buy Hexanoic acid, barium salt?
You can request a quote for Hexanoic 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 Hexanoic acid, barium salt?
Yes, KEHONG BIO provides custom synthesis services for Hexanoic acid, barium salt and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.