4,6-Dimethyl-5-formylpyran-2-one
TL;DR: 4,6-Dimethyl-5-formylpyran-2-one (CAS 480-65-9) is a chemical compound with molecular formula C8H8O4 and molecular weight 168.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,4-dimethyl-6-oxopyran-3-carboxylic acid
Also Known As: Isodehydroacetic acid, 4,6-dimethyl-2-oxo-2H-pyran-5-carboxylic acid, Isodehydracetic acid, Isodehydracetsaure, 4,6-Dimethyl-5-formylpyran-2-one
| Molecular Formula | C8H8O4 |
|---|---|
| Molecular Weight | 168.04 g/mol |
| LogP | 0.3 |
| Topological Polar Surface Area | 63.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 168.04225 |
| Heavy Atoms | 12 |
| Complexity | 309.0 |
Chemical Identifiers
| CAS Number | 480-65-9 |
|---|---|
| SMILES | CC1=CC(=O)OC(=C1C(=O)O)C |
| InChIKey | QOADIMYPCZMZSG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4,6-Dimethyl-5-formylpyran-2-one (CAS 480-65-9), with molecular formula C8H8O4 and molecular weight 168.04 g/mol. IUPAC: 2,4-dimethyl-6-oxopyran-3-carboxylic acid.
Chemical Property Profile of 4,6-Dimethyl-5-formylpyran-2-one
Property Insights of 4,6-Dimethyl-5-formylpyran-2-one
The XLogP value of 0.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4,6-Dimethyl-5-formylpyran-2-one. The TPSA of 63.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 4,6-Dimethyl-5-formylpyran-2-one. Following Lipinski's Rule of Five, 4,6-Dimethyl-5-formylpyran-2-one has 1 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 4,6-Dimethyl-5-formylpyran-2-one?
The CAS number of 4,6-Dimethyl-5-formylpyran-2-one is 480-65-9.
What is the molecular formula of 4,6-Dimethyl-5-formylpyran-2-one?
The molecular formula of 4,6-Dimethyl-5-formylpyran-2-one is C8H8O4.
What is the molecular weight of 4,6-Dimethyl-5-formylpyran-2-one?
The molecular weight of 4,6-Dimethyl-5-formylpyran-2-one is 168.04 g/mol.
Where can I buy 4,6-Dimethyl-5-formylpyran-2-one?
You can request a quote for 4,6-Dimethyl-5-formylpyran-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4,6-Dimethyl-5-formylpyran-2-one?
Yes, KEHONG BIO provides custom synthesis services for 4,6-Dimethyl-5-formylpyran-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.