Dibutyl 3,4-furandicarboxylate
TL;DR: Dibutyl 3,4-furandicarboxylate (CAS 107821-61-4) is a chemical compound with molecular formula C14H20O5 and molecular weight 268.13107 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
dibutyl furan-3,4-dicarboxylate
Also Known As: dibutyl 3,4-furandicarboxylate, dibutyl furan-3,4-dicarboxylate, 654-338-4
Application Areas
Top 5 of 3 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C14H20O5 |
| Molecular Weight | 268.13107 g/mol |
| XLogP | 3.2 |
| Topological Polar Surface Area (TPSA) | 65.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 10 |
| Exact Mass | 268.13107 Da |
| Heavy Atoms | 19 |
| Complexity | 262.0 |
| SMILES | CCCCOC(=O)C1=COC=C1C(=O)OCCCC |
| InChIKey | MBEAJCADYVDFCS-UHFFFAOYSA-N |
Chemical Property Profile of Dibutyl 3,4-furandicarboxylate
Property Insights of Dibutyl 3,4-furandicarboxylate
The XLogP value of 3.2 indicates that Dibutyl 3,4-furandicarboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 65.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Dibutyl 3,4-furandicarboxylate. Following Lipinski's Rule of Five, Dibutyl 3,4-furandicarboxylate has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Dibutyl 3,4-furandicarboxylate?
The CAS number of Dibutyl 3,4-furandicarboxylate is 107821-61-4.
What is the molecular formula of Dibutyl 3,4-furandicarboxylate?
The molecular formula of Dibutyl 3,4-furandicarboxylate is C14H20O5.
What is the molecular weight of Dibutyl 3,4-furandicarboxylate?
The molecular weight of Dibutyl 3,4-furandicarboxylate is 268.13107 g/mol.
Where can I buy Dibutyl 3,4-furandicarboxylate?
You can request a quote for Dibutyl 3,4-furandicarboxylate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Dibutyl 3,4-furandicarboxylate?
Yes, CoreyChem provides custom synthesis services for Dibutyl 3,4-furandicarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.