3,4-Dihydro-2,2-dimethyl-4-oxo-2H-pyran-6-carboxylic acid
TL;DR: 3,4-Dihydro-2,2-dimethyl-4-oxo-2H-pyran-6-carboxylic acid (CAS 80866-93-9) is a chemical compound with molecular formula C8H10O4 and molecular weight 170.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,2-dimethyl-4-oxo-3H-pyran-6-carboxylic acid
Also Known As: 3,4-Dihydro-2,2-dimethyl-4-oxo-2H-pyran-6-carboxylic acid, 2,2-Dimethyl-4-oxo-3,4-dihydro-2H-pyran-6-carboxylic acid, 2,2-dimethyl-4-oxo-3H-pyran-6-carboxylic acid, N-Methyl-bis(trifluoroacetamide), 2H-Pyran-6-carboxylicacid, 3,4-dihydro-2,2-dimethyl-4-oxo-
| Molecular Formula | C8H10O4 |
|---|---|
| Molecular Weight | 170.06 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 | 170.0579 |
| Heavy Atoms | 12 |
| Complexity | 262.0 |
Chemical Identifiers
| CAS Number | 80866-93-9 |
|---|---|
| SMILES | CC1(CC(=O)C=C(O1)C(=O)O)C |
| InChIKey | ANKQOBXQEHGUJT-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3,4-Dihydro-2,2-dimethyl-4-oxo-2H-pyran-6-carboxylic acid (CAS 80866-93-9), with molecular formula C8H10O4 and molecular weight 170.06 g/mol. IUPAC: 2,2-dimethyl-4-oxo-3H-pyran-6-carboxylic acid.
Chemical Property Profile of 3,4-Dihydro-2,2-dimethyl-4-oxo-2H-pyran-6-carboxylic acid
Property Insights of 3,4-Dihydro-2,2-dimethyl-4-oxo-2H-pyran-6-carboxylic acid
The XLogP value of 0.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,4-Dihydro-2,2-dimethyl-4-oxo-2H-pyran-6-carboxylic acid. The TPSA of 63.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,4-Dihydro-2,2-dimethyl-4-oxo-2H-pyran-6-carboxylic acid. Following Lipinski's Rule of Five, 3,4-Dihydro-2,2-dimethyl-4-oxo-2H-pyran-6-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 3,4-Dihydro-2,2-dimethyl-4-oxo-2H-pyran-6-carboxylic acid?
The CAS number of 3,4-Dihydro-2,2-dimethyl-4-oxo-2H-pyran-6-carboxylic acid is 80866-93-9.
What is the molecular formula of 3,4-Dihydro-2,2-dimethyl-4-oxo-2H-pyran-6-carboxylic acid?
The molecular formula of 3,4-Dihydro-2,2-dimethyl-4-oxo-2H-pyran-6-carboxylic acid is C8H10O4.
What is the molecular weight of 3,4-Dihydro-2,2-dimethyl-4-oxo-2H-pyran-6-carboxylic acid?
The molecular weight of 3,4-Dihydro-2,2-dimethyl-4-oxo-2H-pyran-6-carboxylic acid is 170.06 g/mol.
Where can I buy 3,4-Dihydro-2,2-dimethyl-4-oxo-2H-pyran-6-carboxylic acid?
You can request a quote for 3,4-Dihydro-2,2-dimethyl-4-oxo-2H-pyran-6-carboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,4-Dihydro-2,2-dimethyl-4-oxo-2H-pyran-6-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 3,4-Dihydro-2,2-dimethyl-4-oxo-2H-pyran-6-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.