3-Furancarboxylic acid, 4,5-dihydro-2-methyl-5-propyl-, ethyl ester
TL;DR: 3-Furancarboxylic acid, 4,5-dihydro-2-methyl-5-propyl-, ethyl ester (CAS 109176-12-7) is a chemical compound with molecular formula C11H18O3 and molecular weight 198.1256 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl 5-methyl-2-propyl-2,3-dihydrofuran-4-carboxylate
Also Known As: Ethyl 4-carboethoxy-5-methyl-2-propyl-2,3-dihydrofuran, 3-Furancarboxylic acid, 4,5-dihydro-2-methyl-5-propyl-, ethyl ester, J1.556.638H, ethyl 5-methyl-2-propyl-2,3-dihydrofuran-4-carboxylate, 2 -propyl-4-carbethoxy-5-methyl-2,3-dihydrofuran
Application Areas
Top 5 of 4 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C11H18O3 |
| Molecular Weight | 198.1256 g/mol |
| XLogP | 2.4 |
| Topological Polar Surface Area (TPSA) | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 198.1256 Da |
| Heavy Atoms | 14 |
| Complexity | 243.0 |
| SMILES | CCCC1CC(=C(O1)C)C(=O)OCC |
| InChIKey | PDHWNPMFVJZGPL-UHFFFAOYSA-N |
Chemical Property Profile of 3-Furancarboxylic acid, 4,5-dihydro-2-methyl-5-propyl-, ethyl ester
Property Insights of 3-Furancarboxylic acid, 4,5-dihydro-2-methyl-5-propyl-, ethyl ester
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Furancarboxylic acid, 4,5-dihydro-2-methyl-5-propyl-, ethyl ester. With a topological polar surface area (TPSA) of 35.5 Ų, 3-Furancarboxylic acid, 4,5-dihydro-2-methyl-5-propyl-, ethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Furancarboxylic acid, 4,5-dihydro-2-methyl-5-propyl-, ethyl ester 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 3-Furancarboxylic acid, 4,5-dihydro-2-methyl-5-propyl-, ethyl ester?
The CAS number of 3-Furancarboxylic acid, 4,5-dihydro-2-methyl-5-propyl-, ethyl ester is 109176-12-7.
What is the molecular formula of 3-Furancarboxylic acid, 4,5-dihydro-2-methyl-5-propyl-, ethyl ester?
The molecular formula of 3-Furancarboxylic acid, 4,5-dihydro-2-methyl-5-propyl-, ethyl ester is C11H18O3.
What is the molecular weight of 3-Furancarboxylic acid, 4,5-dihydro-2-methyl-5-propyl-, ethyl ester?
The molecular weight of 3-Furancarboxylic acid, 4,5-dihydro-2-methyl-5-propyl-, ethyl ester is 198.1256 g/mol.
Where can I buy 3-Furancarboxylic acid, 4,5-dihydro-2-methyl-5-propyl-, ethyl ester?
You can request a quote for 3-Furancarboxylic acid, 4,5-dihydro-2-methyl-5-propyl-, ethyl ester directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-Furancarboxylic acid, 4,5-dihydro-2-methyl-5-propyl-, ethyl ester?
Yes, CoreyChem provides custom synthesis services for 3-Furancarboxylic acid, 4,5-dihydro-2-methyl-5-propyl-, ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.