2,6-Dimethyl-4-oxo-4H-pyran-3-carboxylic acid
TL;DR: 2,6-Dimethyl-4-oxo-4H-pyran-3-carboxylic acid (CAS 3265-58-5) 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.
2,6-dimethyl-4-oxopyran-3-carboxylic acid
Also Known As: 2,6-dimethyl-4-oxo-4H-pyran-3-carboxylic acid, 2,6-dimethyl-4-oxopyran-3-carboxylic acid, 2,6-Dimethyl-4-pyrone-3-carboxylic acid, 3-carboxy-2,6-dimethylpyr-4-one, 4H-Pyran-3-carboxylic acid, 2,6-dimethyl-4-oxo-
| Molecular Formula | C8H8O4 |
|---|---|
| Molecular Weight | 168.04 g/mol |
| LogP | 1.2 |
| 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 | 3265-58-5 |
|---|---|
| SMILES | CC1=CC(=O)C(=C(O1)C)C(=O)O |
| InChIKey | MZMRFDKQPOMOGX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,6-Dimethyl-4-oxo-4H-pyran-3-carboxylic acid (CAS 3265-58-5), with molecular formula C8H8O4 and molecular weight 168.04 g/mol. IUPAC: 2,6-dimethyl-4-oxopyran-3-carboxylic acid.
Chemical Property Profile of 2,6-Dimethyl-4-oxo-4H-pyran-3-carboxylic acid
Property Insights of 2,6-Dimethyl-4-oxo-4H-pyran-3-carboxylic acid
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,6-Dimethyl-4-oxo-4H-pyran-3-carboxylic acid. The TPSA of 63.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,6-Dimethyl-4-oxo-4H-pyran-3-carboxylic acid. Following Lipinski's Rule of Five, 2,6-Dimethyl-4-oxo-4H-pyran-3-carboxylic acid 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 2,6-Dimethyl-4-oxo-4H-pyran-3-carboxylic acid?
The CAS number of 2,6-Dimethyl-4-oxo-4H-pyran-3-carboxylic acid is 3265-58-5.
What is the molecular formula of 2,6-Dimethyl-4-oxo-4H-pyran-3-carboxylic acid?
The molecular formula of 2,6-Dimethyl-4-oxo-4H-pyran-3-carboxylic acid is C8H8O4.
What is the molecular weight of 2,6-Dimethyl-4-oxo-4H-pyran-3-carboxylic acid?
The molecular weight of 2,6-Dimethyl-4-oxo-4H-pyran-3-carboxylic acid is 168.04 g/mol.
Where can I buy 2,6-Dimethyl-4-oxo-4H-pyran-3-carboxylic acid?
You can request a quote for 2,6-Dimethyl-4-oxo-4H-pyran-3-carboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,6-Dimethyl-4-oxo-4H-pyran-3-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 2,6-Dimethyl-4-oxo-4H-pyran-3-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.