alpha-Pyrone-6-carboxylic acid, 3,4-dimethyl-
TL;DR: alpha-Pyrone-6-carboxylic acid, 3,4-dimethyl- (CAS 2474-49-9) 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.
4,5-dimethyl-6-oxopyran-2-carboxylic acid
Also Known As: 4,5-dimethyl-6-oxopyran-2-carboxylic acid, 3,4-Dimethyl-2-oxo-2H-pyran-6-carboxylic acid, 4,5-dimethyl-6-oxo-6H-pyran-2-carboxylic acid, .alpha.-pyrone-6-carboxylic acid, 3,4-dimethyl-, 3,4-Dimethyl-2-oxo-2H-pyran-6-carboxylic acid #
| Molecular Formula | C8H8O4 |
|---|---|
| Molecular Weight | 168.04 g/mol |
| LogP | 0.8 |
| 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 | 2474-49-9 |
|---|---|
| SMILES | CC1=C(C(=O)OC(=C1)C(=O)O)C |
| InChIKey | XEQZCIANYDGNQE-UHFFFAOYSA-N |
Product Overview
alpha-Pyrone-6-carboxylic acid, 3,4-dimethyl- (CAS 2474-49-9), with molecular formula C8H8O4 and molecular weight 168.04 g/mol. IUPAC: 4,5-dimethyl-6-oxopyran-2-carboxylic acid.
Chemical Property Profile of alpha-Pyrone-6-carboxylic acid, 3,4-dimethyl-
Property Insights of alpha-Pyrone-6-carboxylic acid, 3,4-dimethyl-
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for alpha-Pyrone-6-carboxylic acid, 3,4-dimethyl-. The TPSA of 63.6 Ų falls within the moderate polarity range, balancing permeability and solubility for alpha-Pyrone-6-carboxylic acid, 3,4-dimethyl-. Following Lipinski's Rule of Five, alpha-Pyrone-6-carboxylic acid, 3,4-dimethyl- 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 alpha-Pyrone-6-carboxylic acid, 3,4-dimethyl-?
The CAS number of alpha-Pyrone-6-carboxylic acid, 3,4-dimethyl- is 2474-49-9.
What is the molecular formula of alpha-Pyrone-6-carboxylic acid, 3,4-dimethyl-?
The molecular formula of alpha-Pyrone-6-carboxylic acid, 3,4-dimethyl- is C8H8O4.
What is the molecular weight of alpha-Pyrone-6-carboxylic acid, 3,4-dimethyl-?
The molecular weight of alpha-Pyrone-6-carboxylic acid, 3,4-dimethyl- is 168.04 g/mol.
Where can I buy alpha-Pyrone-6-carboxylic acid, 3,4-dimethyl-?
You can request a quote for alpha-Pyrone-6-carboxylic acid, 3,4-dimethyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for alpha-Pyrone-6-carboxylic acid, 3,4-dimethyl-?
Yes, KEHONG BIO provides custom synthesis services for alpha-Pyrone-6-carboxylic acid, 3,4-dimethyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.