Calcium bis(3-acetyl-6-methyl-2-oxo-2h-pyran-4-olate)
TL;DR: Calcium bis(3-acetyl-6-methyl-2-oxo-2h-pyran-4-olate) (CAS 34550-62-4) is a chemical compound with molecular formula C16H14CaO8 and molecular weight 374.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
calcium bis(3-acetyl-6-methyl-2-oxopyran-4-olate)
Also Known As: Calcium dehydroacetate, EINECS 251-557-3, calcium;3-acetyl-6-methyl-2-oxopyran-4-olate, calcium 3-acetyl-6-methyl-2-oxopyran-4-olate, calcium 3-acetyl-6-methyl-4-oxopyran-2-olate
| Molecular Formula | C16H14CaO8 |
|---|---|
| Molecular Weight | 374.03 g/mol |
| LogP | 0.06804 |
| Topological Polar Surface Area | 140.68 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 2 |
| Exact Mass | 374.03146 |
| Heavy Atoms | 25 |
| Complexity | 831.82635 |
Chemical Identifiers
| CAS Number | 34550-62-4 |
|---|---|
| SMILES | CC1=CC(=C(C(=O)O1)C(=O)C)[O-].CC1=CC(=C(C(=O)O1)C(=O)C)[O-].[Ca+2] |
Product Overview
Calcium bis(3-acetyl-6-methyl-2-oxo-2h-pyran-4-olate) (CAS 34550-62-4), with molecular formula C16H14CaO8 and molecular weight 374.03 g/mol. IUPAC: calcium bis(3-acetyl-6-methyl-2-oxopyran-4-olate).
Chemical Property Profile of Calcium bis(3-acetyl-6-methyl-2-oxo-2h-pyran-4-olate)
Property Insights of Calcium bis(3-acetyl-6-methyl-2-oxo-2h-pyran-4-olate)
The XLogP value of 0.06804 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Calcium bis(3-acetyl-6-methyl-2-oxo-2h-pyran-4-olate). The TPSA of 140.68 Ų indicates high polarity, suggesting Calcium bis(3-acetyl-6-methyl-2-oxo-2h-pyran-4-olate) may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Calcium bis(3-acetyl-6-methyl-2-oxo-2h-pyran-4-olate) has 0 hydrogen bond donor(s) and 8 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 Calcium bis(3-acetyl-6-methyl-2-oxo-2h-pyran-4-olate)?
The CAS number of Calcium bis(3-acetyl-6-methyl-2-oxo-2h-pyran-4-olate) is 34550-62-4.
What is the molecular formula of Calcium bis(3-acetyl-6-methyl-2-oxo-2h-pyran-4-olate)?
The molecular formula of Calcium bis(3-acetyl-6-methyl-2-oxo-2h-pyran-4-olate) is C16H14CaO8.
What is the molecular weight of Calcium bis(3-acetyl-6-methyl-2-oxo-2h-pyran-4-olate)?
The molecular weight of Calcium bis(3-acetyl-6-methyl-2-oxo-2h-pyran-4-olate) is 374.03 g/mol.
Where can I buy Calcium bis(3-acetyl-6-methyl-2-oxo-2h-pyran-4-olate)?
You can request a quote for Calcium bis(3-acetyl-6-methyl-2-oxo-2h-pyran-4-olate) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Calcium bis(3-acetyl-6-methyl-2-oxo-2h-pyran-4-olate)?
Yes, KEHONG BIO provides custom synthesis services for Calcium bis(3-acetyl-6-methyl-2-oxo-2h-pyran-4-olate) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.