5,6-dimethyl-4-oxo-4H-pyran-2-carboxylic acid
TL;DR: 5,6-dimethyl-4-oxo-4H-pyran-2-carboxylic acid (CAS 92490-75-0) 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.
5,6-dimethyl-4-oxopyran-2-carboxylic acid
Also Known As: Maybridge3_004442, 5,6-dimethyl-4-oxo-4H-pyran-2-carboxylic acid, 5,6-dimethyl-4-oxopyran-2-carboxylate, 5,6-dimethyl-4-oxopyran-2-carboxylic acid, IDI1_015829
| Molecular Formula | C8H8O4 |
|---|---|
| Molecular Weight | 168.04 g/mol |
| LogP | 0.95484 |
| Topological Polar Surface Area | 67.51 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 168.04225 |
| Heavy Atoms | 12 |
| Complexity | 375.13452 |
Chemical Identifiers
| CAS Number | 92490-75-0 |
|---|---|
| SMILES | CC1=C(OC(=CC1=O)C(=O)O)C |
Product Overview
5,6-dimethyl-4-oxo-4H-pyran-2-carboxylic acid (CAS 92490-75-0), with molecular formula C8H8O4 and molecular weight 168.04 g/mol. IUPAC: 5,6-dimethyl-4-oxopyran-2-carboxylic acid.
Chemical Property Profile of 5,6-dimethyl-4-oxo-4H-pyran-2-carboxylic acid
Property Insights of 5,6-dimethyl-4-oxo-4H-pyran-2-carboxylic acid
The XLogP value of 0.95484 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5,6-dimethyl-4-oxo-4H-pyran-2-carboxylic acid. The TPSA of 67.51 Ų falls within the moderate polarity range, balancing permeability and solubility for 5,6-dimethyl-4-oxo-4H-pyran-2-carboxylic acid. Following Lipinski's Rule of Five, 5,6-dimethyl-4-oxo-4H-pyran-2-carboxylic acid has 1 hydrogen bond donor(s) and 3 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 5,6-dimethyl-4-oxo-4H-pyran-2-carboxylic acid?
The CAS number of 5,6-dimethyl-4-oxo-4H-pyran-2-carboxylic acid is 92490-75-0.
What is the molecular formula of 5,6-dimethyl-4-oxo-4H-pyran-2-carboxylic acid?
The molecular formula of 5,6-dimethyl-4-oxo-4H-pyran-2-carboxylic acid is C8H8O4.
What is the molecular weight of 5,6-dimethyl-4-oxo-4H-pyran-2-carboxylic acid?
The molecular weight of 5,6-dimethyl-4-oxo-4H-pyran-2-carboxylic acid is 168.04 g/mol.
Where can I buy 5,6-dimethyl-4-oxo-4H-pyran-2-carboxylic acid?
You can request a quote for 5,6-dimethyl-4-oxo-4H-pyran-2-carboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5,6-dimethyl-4-oxo-4H-pyran-2-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 5,6-dimethyl-4-oxo-4H-pyran-2-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.