乙酸钡
TL;DR: 乙酸钡 (CAS 543-80-6) is a chemical compound with molecular formula C4H6BaO4 and molecular weight 255.93 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
乙酸钡
barium(2+) diacetate
Also Known As: Barium acetate, Barium diacetate, Octan barnaty, Barium di(acetate), bariumacetate
| Molecular Formula | C4H6BaO4 |
|---|---|
| Molecular Weight | 255.93 g/mol |
| LogP | -2.87 |
| Topological Polar Surface Area | 80.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 255.93185 |
| Heavy Atoms | 9 |
| Complexity | 25.0 |
| Density | 2.47 g/cm³ |
| Solubility | Solubility in water, g/100ml at 20 °C: 59 |
Chemical Identifiers
| CAS Number | 543-80-6 |
|---|---|
| SMILES | CC(=O)[O-].CC(=O)[O-].[Ba+2] |
| InChIKey | ITHZDDVSAWDQPZ-UHFFFAOYSA-L |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
乙酸钡 (CAS 543-80-6), with molecular formula C4H6BaO4 and molecular weight 255.93 g/mol. IUPAC: barium(2+) diacetate.
Chemical Property Profile of 乙酸钡
Property Insights of 乙酸钡
The XLogP value of -2.87 indicates that 乙酸钡 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 80.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 乙酸钡. Following Lipinski's Rule of Five, 乙酸钡 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 乙酸钡?
The CAS number of 乙酸钡 is 543-80-6.
What is the molecular formula of 乙酸钡?
The molecular formula of 乙酸钡 is C4H6BaO4.
What is the molecular weight of 乙酸钡?
The molecular weight of 乙酸钡 is 255.93 g/mol.
Where can I buy 乙酸钡?
You can request a quote for 乙酸钡 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 乙酸钡?
Yes, KEHONG BIO provides custom synthesis services for 乙酸钡 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.