Docosanoic acid, barium salt (2:1)
TL;DR: Docosanoic acid, barium salt (2:1) (CAS 27247-41-2) is a chemical compound with molecular formula C44H86BaO4 and molecular weight 816.56 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
barium(2+);docosanoate
Also Known As: Barium behenate, Barium didocosanoate, Docosanoic acid, barium salt, barium(2+); docosanoate, Didocosanoic acid barium salt
| Molecular Formula | C44H86BaO4 |
|---|---|
| Molecular Weight | 816.56 g/mol |
| LogP | 12.7356 |
| Topological Polar Surface Area | 80.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 38 |
| Exact Mass | 816.55786 |
| Heavy Atoms | 49 |
| Complexity | 245.0 |
Chemical Identifiers
| CAS Number | 27247-41-2 |
|---|---|
| SMILES | CCCCCCCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCCCCCCCC(=O)[O-].[Ba+2] |
| InChIKey | HKYBCZMGCVOGCR-UHFFFAOYSA-L |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Docosanoic acid, barium salt (2:1) (CAS 27247-41-2), with molecular formula C44H86BaO4 and molecular weight 816.56 g/mol. IUPAC: barium(2+);docosanoate.
Chemical Property Profile of Docosanoic acid, barium salt (2:1)
Property Insights of Docosanoic acid, barium salt (2:1)
The XLogP value of 12.7356 indicates that Docosanoic acid, barium salt (2:1) 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 Docosanoic acid, barium salt (2:1). Following Lipinski's Rule of Five, Docosanoic acid, barium salt (2:1) 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 Docosanoic acid, barium salt (2:1)?
The CAS number of Docosanoic acid, barium salt (2:1) is 27247-41-2.
What is the molecular formula of Docosanoic acid, barium salt (2:1)?
The molecular formula of Docosanoic acid, barium salt (2:1) is C44H86BaO4.
What is the molecular weight of Docosanoic acid, barium salt (2:1)?
The molecular weight of Docosanoic acid, barium salt (2:1) is 816.56 g/mol.
Where can I buy Docosanoic acid, barium salt (2:1)?
You can request a quote for Docosanoic acid, barium salt (2:1) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Docosanoic acid, barium salt (2:1)?
Yes, KEHONG BIO provides custom synthesis services for Docosanoic acid, barium salt (2:1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.