Bis(3-acetyl-6-methyl-2H-pyran-2,4(3H)-dionato)calcium
TL;DR: Bis(3-acetyl-6-methyl-2H-pyran-2,4(3H)-dionato)calcium (CAS 33518-81-9) 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, Bis(3-acetyl-6-methyl-2H-pyran-2,4(3H)-dionato)calcium, calcium;3-acetyl-6-methyl-2-oxopyran-4-olate, EINECS 251-557-3
| Molecular Formula | C16H14CaO8 |
|---|---|
| Molecular Weight | 374.03 g/mol |
| LogP | 0.07 |
| Topological Polar Surface Area | 133.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 4 |
| Exact Mass | 374.03146 |
| Heavy Atoms | 25 |
| Complexity | 688.0 |
Chemical Identifiers
| CAS Number | 33518-81-9 |
|---|---|
| SMILES | CC1=CC(=C(C(=O)O1)C(=O)C)[O-].CC1=CC(=C(C(=O)O1)C(=O)C)[O-].[Ca+2] |
| InChIKey | MFBPHBWAQKFBOH-UHFFFAOYSA-L |
Product Overview
Bis(3-acetyl-6-methyl-2H-pyran-2,4(3H)-dionato)calcium (CAS 33518-81-9), 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 Bis(3-acetyl-6-methyl-2H-pyran-2,4(3H)-dionato)calcium
Property Insights of Bis(3-acetyl-6-methyl-2H-pyran-2,4(3H)-dionato)calcium
The XLogP value of 0.07 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Bis(3-acetyl-6-methyl-2H-pyran-2,4(3H)-dionato)calcium. The TPSA of 133.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Bis(3-acetyl-6-methyl-2H-pyran-2,4(3H)-dionato)calcium. Following Lipinski's Rule of Five, Bis(3-acetyl-6-methyl-2H-pyran-2,4(3H)-dionato)calcium 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 Bis(3-acetyl-6-methyl-2H-pyran-2,4(3H)-dionato)calcium?
The CAS number of Bis(3-acetyl-6-methyl-2H-pyran-2,4(3H)-dionato)calcium is 33518-81-9.
What is the molecular formula of Bis(3-acetyl-6-methyl-2H-pyran-2,4(3H)-dionato)calcium?
The molecular formula of Bis(3-acetyl-6-methyl-2H-pyran-2,4(3H)-dionato)calcium is C16H14CaO8.
What is the molecular weight of Bis(3-acetyl-6-methyl-2H-pyran-2,4(3H)-dionato)calcium?
The molecular weight of Bis(3-acetyl-6-methyl-2H-pyran-2,4(3H)-dionato)calcium is 374.03 g/mol.
Where can I buy Bis(3-acetyl-6-methyl-2H-pyran-2,4(3H)-dionato)calcium?
You can request a quote for Bis(3-acetyl-6-methyl-2H-pyran-2,4(3H)-dionato)calcium directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bis(3-acetyl-6-methyl-2H-pyran-2,4(3H)-dionato)calcium?
Yes, KEHONG BIO provides custom synthesis services for Bis(3-acetyl-6-methyl-2H-pyran-2,4(3H)-dionato)calcium and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.