Barium bis(2-ethylhexanoate)
TL;DR: Barium bis(2-ethylhexanoate) (CAS 2457-01-4) 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(2-ethylhexanoate)
Also Known As: Barium 2-ethylhexanoate, Barium bis(2-ethylhexanoate), barium(2+);2-ethylhexanoate, BARIUM DIETHYLHEXANOATE, Hexanoic acid, 2-ethyl-, barium salt
| Molecular Formula | C16H30BaO4 |
|---|---|
| Molecular Weight | 424.12 g/mol |
| LogP | 1.52 |
| Topological Polar Surface Area | 80.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 424.11966 |
| Heavy Atoms | 21 |
| Complexity | 93.0 |
Chemical Identifiers
| CAS Number | 2457-01-4 |
|---|---|
| SMILES | CCCCC(CC)C(=O)[O-].CCCCC(CC)C(=O)[O-].[Ba+2] |
| InChIKey | VJFFDDQGMMQGTQ-UHFFFAOYSA-L |
Patent-Derived Application Labels
Derived from 13 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Barium bis(2-ethylhexanoate) (CAS 2457-01-4), with molecular formula C16H30BaO4 and molecular weight 424.12 g/mol. IUPAC: barium(2+);bis(2-ethylhexanoate).
Chemical Property Profile of Barium bis(2-ethylhexanoate)
Property Insights of Barium bis(2-ethylhexanoate)
The XLogP value of 1.52 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Barium bis(2-ethylhexanoate). The TPSA of 80.3 Ų falls within the moderate polarity range, balancing permeability and solubility for Barium bis(2-ethylhexanoate). Following Lipinski's Rule of Five, Barium bis(2-ethylhexanoate) 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 Barium bis(2-ethylhexanoate)?
The CAS number of Barium bis(2-ethylhexanoate) is 2457-01-4.
What is the molecular formula of Barium bis(2-ethylhexanoate)?
The molecular formula of Barium bis(2-ethylhexanoate) is C16H30BaO4.
What is the molecular weight of Barium bis(2-ethylhexanoate)?
The molecular weight of Barium bis(2-ethylhexanoate) is 424.12 g/mol.
Where can I buy Barium bis(2-ethylhexanoate)?
You can request a quote for Barium bis(2-ethylhexanoate) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Barium bis(2-ethylhexanoate)?
Yes, KEHONG BIO provides custom synthesis services for Barium bis(2-ethylhexanoate) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.