Aspalatone
TL;DR: Aspalatone (CAS 147249-33-0) is a chemical compound with molecular formula C15H12O6 and molecular weight 288.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-methyl-4-oxopyran-3-yl) 2-acetyloxybenzoate
Also Known As: Aspalatone, AAME, Acetylsalicylic acid maltol ester, Acetylsalicylic acid matol ester, 2-Methyl-4-oxo-4H-pyran-3-yl 2-(acetyloxy)benzoate
| Molecular Formula | C15H12O6 |
|---|---|
| Molecular Weight | 288.06 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 78.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 288.0634 |
| Heavy Atoms | 21 |
| Complexity | 516.0 |
Chemical Identifiers
| CAS Number | 147249-33-0 |
|---|---|
| SMILES | CC1=C(C(=O)C=CO1)OC(=O)C2=CC=CC=C2OC(=O)C |
| InChIKey | JVBIZYPCGNCWIT-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Aspalatone (CAS 147249-33-0), with molecular formula C15H12O6 and molecular weight 288.06 g/mol. IUPAC: (2-methyl-4-oxopyran-3-yl) 2-acetyloxybenzoate.
Chemical Property Profile of Aspalatone
Property Insights of Aspalatone
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Aspalatone. The TPSA of 78.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Aspalatone. Following Lipinski's Rule of Five, Aspalatone 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
Frequently Asked Questions
What is the CAS number of Aspalatone?
The CAS number of Aspalatone is 147249-33-0.
What is the molecular formula of Aspalatone?
The molecular formula of Aspalatone is C15H12O6.
What is the molecular weight of Aspalatone?
The molecular weight of Aspalatone is 288.06 g/mol.
Where can I buy Aspalatone?
You can request a quote for Aspalatone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Aspalatone?
Yes, KEHONG BIO provides custom synthesis services for Aspalatone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.