Isobutyl-2-furanpropionate
TL;DR: Isobutyl-2-furanpropionate (CAS 105-01-1) is a chemical compound with molecular formula C11H16O3 and molecular weight 196.10994 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-methylpropyl 3-(furan-2-yl)propanoate
Also Known As: Isobutyl furfurylacetate, Isobutyl 2-furanpropionate, Isobutyl furylpropionate, Isobutyl-2-furanpropionate, Isobutyl 3-(furan-2-yl)propanoate
Application Areas
Top 5 of 1 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C11H16O3 |
| Molecular Weight | 196.10994 g/mol |
| XLogP | 2.3 |
| Topological Polar Surface Area (TPSA) | 39.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 196.10994 Da |
| Heavy Atoms | 14 |
| Complexity | 177.0 |
| Boiling Point | 105.00 °C. @ 3.00 mm Hg |
| Density | 1.007-1.013 |
| Refractive Index | 1.531-1.537 |
| Solubility | very slightly |
| SMILES | CC(C)COC(=O)CCC1=CC=CO1 |
| InChIKey | SVDPTFHRRNUNRS-UHFFFAOYSA-N |
Chemical Property Profile of Isobutyl-2-furanpropionate
Property Insights of Isobutyl-2-furanpropionate
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Isobutyl-2-furanpropionate. With a topological polar surface area (TPSA) of 39.4 Ų, Isobutyl-2-furanpropionate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Isobutyl-2-furanpropionate has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Isobutyl-2-furanpropionate?
The CAS number of Isobutyl-2-furanpropionate is 105-01-1.
What is the molecular formula of Isobutyl-2-furanpropionate?
The molecular formula of Isobutyl-2-furanpropionate is C11H16O3.
What is the molecular weight of Isobutyl-2-furanpropionate?
The molecular weight of Isobutyl-2-furanpropionate is 196.10994 g/mol.
Where can I buy Isobutyl-2-furanpropionate?
You can request a quote for Isobutyl-2-furanpropionate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Isobutyl-2-furanpropionate?
Yes, CoreyChem provides custom synthesis services for Isobutyl-2-furanpropionate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.