4,5,5-Trimethyl-2-oxo-2,5-dihydrofuran-3-carboxylic acid
TL;DR: 4,5,5-Trimethyl-2-oxo-2,5-dihydrofuran-3-carboxylic acid (CAS 13156-11-1) is a chemical compound with molecular formula C8H10O4 and molecular weight 170.0579 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4,5,5-trimethyl-2-oxofuran-3-carboxylic acid
Also Known As: 4,5,5-trimethyl-2-oxo-2,5-dihydrofuran-3-carboxylic acid, 4,5,5-trimethyl-2-oxofuran-3-carboxylic acid, 3-Furancarboxylic acid, 2,5-dihydro-4,5,5-trimethyl-2-oxo-, J1.984.917A, 4,5,5-trimethyl-2-oxo-furan-3-carboxylic Acid
Technical Specifications
| Molecular Formula | C8H10O4 |
| Molecular Weight | 170.0579 g/mol |
| XLogP | 1.0 |
| Topological Polar Surface Area (TPSA) | 63.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 170.0579 Da |
| Heavy Atoms | 12 |
| Complexity | 285.0 |
| SMILES | CC1=C(C(=O)OC1(C)C)C(=O)O |
| InChIKey | WDBWMWDAYBDTOO-UHFFFAOYSA-N |
Chemical Property Profile of 4,5,5-Trimethyl-2-oxo-2,5-dihydrofuran-3-carboxylic acid
Property Insights of 4,5,5-Trimethyl-2-oxo-2,5-dihydrofuran-3-carboxylic acid
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4,5,5-Trimethyl-2-oxo-2,5-dihydrofuran-3-carboxylic acid. The TPSA of 63.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 4,5,5-Trimethyl-2-oxo-2,5-dihydrofuran-3-carboxylic acid. Following Lipinski's Rule of Five, 4,5,5-Trimethyl-2-oxo-2,5-dihydrofuran-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
What is the CAS number of 4,5,5-Trimethyl-2-oxo-2,5-dihydrofuran-3-carboxylic acid?
The CAS number of 4,5,5-Trimethyl-2-oxo-2,5-dihydrofuran-3-carboxylic acid is 13156-11-1.
What is the molecular formula of 4,5,5-Trimethyl-2-oxo-2,5-dihydrofuran-3-carboxylic acid?
The molecular formula of 4,5,5-Trimethyl-2-oxo-2,5-dihydrofuran-3-carboxylic acid is C8H10O4.
What is the molecular weight of 4,5,5-Trimethyl-2-oxo-2,5-dihydrofuran-3-carboxylic acid?
The molecular weight of 4,5,5-Trimethyl-2-oxo-2,5-dihydrofuran-3-carboxylic acid is 170.0579 g/mol.
Where can I buy 4,5,5-Trimethyl-2-oxo-2,5-dihydrofuran-3-carboxylic acid?
You can request a quote for 4,5,5-Trimethyl-2-oxo-2,5-dihydrofuran-3-carboxylic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4,5,5-Trimethyl-2-oxo-2,5-dihydrofuran-3-carboxylic acid?
Yes, CoreyChem provides custom synthesis services for 4,5,5-Trimethyl-2-oxo-2,5-dihydrofuran-3-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.