![3-acetoacetyl-7-methyl-2H,5H-pyrano[4,3-b]pyran-2,5-dione structure](/static/products/1564/156426-82-3.webp)
3-acetoacetyl-7-methyl-2H,5H-pyrano[4,3-b]pyran-2,5-dione
TL;DR: 3-acetoacetyl-7-methyl-2H,5H-pyrano[4,3-b]pyran-2,5-dione (CAS 156426-82-3) is a chemical compound with molecular formula C13H10O6 and molecular weight 262.04773 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
7-methyl-3-(3-oxobutanoyl)pyrano[3,2-c]pyran-2,5-dione
Also Known As: 3-acetoacetyl-7-methyl-2H,5H-pyrano[4,3-b]pyran-2,5-dione, 7-methyl-3-(3-oxobutanoyl)-2H,5H-pyrano[3,2-c]pyran-2,5-dione, NCI60_020979, 7-methyl-3-(3-oxobutanoyl)pyrano[3,2-c]pyran-2,5-dione, J1.050.164D
Technical Specifications
| Molecular Formula | C13H10O6 |
| Molecular Weight | 262.04773 g/mol |
| XLogP | 0.6 |
| Topological Polar Surface Area (TPSA) | 86.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 262.04773 Da |
| Heavy Atoms | 19 |
| Complexity | 603.0 |
| SMILES | CC1=CC2=C(C=C(C(=O)O2)C(=O)CC(=O)C)C(=O)O1 |
| InChIKey | WPIHCINHLYKZDQ-UHFFFAOYSA-N |
Chemical Property Profile of 3-acetoacetyl-7-methyl-2H,5H-pyrano[4,3-b]pyran-2,5-dione
Property Insights of 3-acetoacetyl-7-methyl-2H,5H-pyrano[4,3-b]pyran-2,5-dione
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-acetoacetyl-7-methyl-2H,5H-pyrano[4,3-b]pyran-2,5-dione. The TPSA of 86.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-acetoacetyl-7-methyl-2H,5H-pyrano[4,3-b]pyran-2,5-dione. Following Lipinski's Rule of Five, 3-acetoacetyl-7-methyl-2H,5H-pyrano[4,3-b]pyran-2,5-dione has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 3-acetoacetyl-7-methyl-2H,5H-pyrano[4,3-b]pyran-2,5-dione?
The CAS number of 3-acetoacetyl-7-methyl-2H,5H-pyrano[4,3-b]pyran-2,5-dione is 156426-82-3.
What is the molecular formula of 3-acetoacetyl-7-methyl-2H,5H-pyrano[4,3-b]pyran-2,5-dione?
The molecular formula of 3-acetoacetyl-7-methyl-2H,5H-pyrano[4,3-b]pyran-2,5-dione is C13H10O6.
What is the molecular weight of 3-acetoacetyl-7-methyl-2H,5H-pyrano[4,3-b]pyran-2,5-dione?
The molecular weight of 3-acetoacetyl-7-methyl-2H,5H-pyrano[4,3-b]pyran-2,5-dione is 262.04773 g/mol.
Where can I buy 3-acetoacetyl-7-methyl-2H,5H-pyrano[4,3-b]pyran-2,5-dione?
You can request a quote for 3-acetoacetyl-7-methyl-2H,5H-pyrano[4,3-b]pyran-2,5-dione directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-acetoacetyl-7-methyl-2H,5H-pyrano[4,3-b]pyran-2,5-dione?
Yes, CoreyChem provides custom synthesis services for 3-acetoacetyl-7-methyl-2H,5H-pyrano[4,3-b]pyran-2,5-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.