3-Acetyl-6-methyl-2,4-dioxo-3,4-dihydro-2h-pyran-5-carboxylic acid
TL;DR: 3-Acetyl-6-methyl-2,4-dioxo-3,4-dihydro-2h-pyran-5-carboxylic acid (CAS 6279-23-8) is a chemical compound with molecular formula C9H8O6 and molecular weight 212.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-acetyl-2-methyl-4,6-dioxopyran-3-carboxylic acid
Also Known As: 5-CARBOXYDEHYDROACETIC ACID, 3-acetyl-6-methyl-2,4-dioxo-3,4-dihydro-2h-pyran-5-carboxylic acid, 5-acetyl-2-methyl-4,6-dioxopyran-3-carboxylic acid, RefChem:276225
| Molecular Formula | C9H8O6 |
|---|---|
| Molecular Weight | 212.03 g/mol |
| LogP | 0.6 |
| Topological Polar Surface Area | 97.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 212.03209 |
| Heavy Atoms | 15 |
| Complexity | 403.0 |
Chemical Identifiers
| CAS Number | 6279-23-8 |
|---|---|
| SMILES | CC1=C(C(=O)C(C(=O)O1)C(=O)C)C(=O)O |
| InChIKey | ZVTPLASNCIDWSK-UHFFFAOYSA-N |
Product Overview
3-Acetyl-6-methyl-2,4-dioxo-3,4-dihydro-2h-pyran-5-carboxylic acid (CAS 6279-23-8), with molecular formula C9H8O6 and molecular weight 212.03 g/mol. IUPAC: 5-acetyl-2-methyl-4,6-dioxopyran-3-carboxylic acid.
Chemical Property Profile of 3-Acetyl-6-methyl-2,4-dioxo-3,4-dihydro-2h-pyran-5-carboxylic acid
Property Insights of 3-Acetyl-6-methyl-2,4-dioxo-3,4-dihydro-2h-pyran-5-carboxylic acid
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Acetyl-6-methyl-2,4-dioxo-3,4-dihydro-2h-pyran-5-carboxylic acid. The TPSA of 97.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Acetyl-6-methyl-2,4-dioxo-3,4-dihydro-2h-pyran-5-carboxylic acid. Following Lipinski's Rule of Five, 3-Acetyl-6-methyl-2,4-dioxo-3,4-dihydro-2h-pyran-5-carboxylic acid has 1 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 3-Acetyl-6-methyl-2,4-dioxo-3,4-dihydro-2h-pyran-5-carboxylic acid?
The CAS number of 3-Acetyl-6-methyl-2,4-dioxo-3,4-dihydro-2h-pyran-5-carboxylic acid is 6279-23-8.
What is the molecular formula of 3-Acetyl-6-methyl-2,4-dioxo-3,4-dihydro-2h-pyran-5-carboxylic acid?
The molecular formula of 3-Acetyl-6-methyl-2,4-dioxo-3,4-dihydro-2h-pyran-5-carboxylic acid is C9H8O6.
What is the molecular weight of 3-Acetyl-6-methyl-2,4-dioxo-3,4-dihydro-2h-pyran-5-carboxylic acid?
The molecular weight of 3-Acetyl-6-methyl-2,4-dioxo-3,4-dihydro-2h-pyran-5-carboxylic acid is 212.03 g/mol.
Where can I buy 3-Acetyl-6-methyl-2,4-dioxo-3,4-dihydro-2h-pyran-5-carboxylic acid?
You can request a quote for 3-Acetyl-6-methyl-2,4-dioxo-3,4-dihydro-2h-pyran-5-carboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Acetyl-6-methyl-2,4-dioxo-3,4-dihydro-2h-pyran-5-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-Acetyl-6-methyl-2,4-dioxo-3,4-dihydro-2h-pyran-5-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.