4-Butyl-5-oxotetrahydrofuran-2-carboxylic acid
TL;DR: 4-Butyl-5-oxotetrahydrofuran-2-carboxylic acid (CAS 14001-10-6) is a chemical compound with molecular formula C9H14O4 and molecular weight 186.0892 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-butyl-5-oxooxolane-2-carboxylic acid
Also Known As: 4-butyl-5-oxooxolane-2-carboxylic acid, 4-butyl-5-oxo-oxolane-2-carboxylic Acid, 4-butyl-5-oxotetrahydrofuran-2-carboxylic acid
Technical Specifications
| Molecular Formula | C9H14O4 |
| Molecular Weight | 186.0892 g/mol |
| XLogP | 1.8 |
| Topological Polar Surface Area (TPSA) | 63.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 186.0892 Da |
| Heavy Atoms | 13 |
| Complexity | 212.0 |
| SMILES | CCCCC1CC(OC1=O)C(=O)O |
| InChIKey | PJUHECHICQRJKW-UHFFFAOYSA-N |
Chemical Property Profile of 4-Butyl-5-oxotetrahydrofuran-2-carboxylic acid
Property Insights of 4-Butyl-5-oxotetrahydrofuran-2-carboxylic acid
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Butyl-5-oxotetrahydrofuran-2-carboxylic acid. The TPSA of 63.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Butyl-5-oxotetrahydrofuran-2-carboxylic acid. Following Lipinski's Rule of Five, 4-Butyl-5-oxotetrahydrofuran-2-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-Butyl-5-oxotetrahydrofuran-2-carboxylic acid?
The CAS number of 4-Butyl-5-oxotetrahydrofuran-2-carboxylic acid is 14001-10-6.
What is the molecular formula of 4-Butyl-5-oxotetrahydrofuran-2-carboxylic acid?
The molecular formula of 4-Butyl-5-oxotetrahydrofuran-2-carboxylic acid is C9H14O4.
What is the molecular weight of 4-Butyl-5-oxotetrahydrofuran-2-carboxylic acid?
The molecular weight of 4-Butyl-5-oxotetrahydrofuran-2-carboxylic acid is 186.0892 g/mol.
Where can I buy 4-Butyl-5-oxotetrahydrofuran-2-carboxylic acid?
You can request a quote for 4-Butyl-5-oxotetrahydrofuran-2-carboxylic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-Butyl-5-oxotetrahydrofuran-2-carboxylic acid?
Yes, CoreyChem provides custom synthesis services for 4-Butyl-5-oxotetrahydrofuran-2-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.