乙酰丙酮钡
TL;DR: 乙酰丙酮钡 (CAS 12084-29-6) is a chemical compound with molecular formula C10H14BaO4 and molecular weight 335.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
乙酰丙酮钡
barium(2+);bis(4-oxopent-2-en-2-olate)
Also Known As: Barium2,4-pentanedionate, Bis(pentane-2,4-dionato-O,O')barium, barium(2+); 4-oxopent-2-en-2-olate
| Molecular Formula | C10H14BaO4 |
|---|---|
| Molecular Weight | 335.99 g/mol |
| LogP | -0.7 |
| Topological Polar Surface Area | 80.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 335.99445 |
| Heavy Atoms | 15 |
| Complexity | 90.0 |
Chemical Identifiers
| CAS Number | 12084-29-6 |
|---|---|
| SMILES | CC(=CC(=O)C)[O-].CC(=CC(=O)C)[O-].[Ba+2] |
| InChIKey | DJHZYHWLGNJISM-UHFFFAOYSA-L |
Product Overview
乙酰丙酮钡 (CAS 12084-29-6), with molecular formula C10H14BaO4 and molecular weight 335.99 g/mol. IUPAC: barium(2+);bis(4-oxopent-2-en-2-olate).
Chemical Property Profile of 乙酰丙酮钡
Property Insights of 乙酰丙酮钡
The XLogP value of -0.7 indicates that 乙酰丙酮钡 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 乙酰丙酮钡. Following Lipinski's Rule of Five, 乙酰丙酮钡 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 乙酰丙酮钡?
The CAS number of 乙酰丙酮钡 is 12084-29-6.
What is the molecular formula of 乙酰丙酮钡?
The molecular formula of 乙酰丙酮钡 is C10H14BaO4.
What is the molecular weight of 乙酰丙酮钡?
The molecular weight of 乙酰丙酮钡 is 335.99 g/mol.
Where can I buy 乙酰丙酮钡?
You can request a quote for 乙酰丙酮钡 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 乙酰丙酮钡?
Yes, KEHONG BIO provides custom synthesis services for 乙酰丙酮钡 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.