1,5-Di-2-furylpentan-3-one
TL;DR: 1,5-Di-2-furylpentan-3-one (CAS 6075-11-2) is a chemical compound with molecular formula C13H14O3 and molecular weight 218.0943 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1,5-bis(furan-2-yl)pentan-3-one
Also Known As: 3-Pentanone, 1,5-di-2-furanyl-, 1,5-Di-2-furylpentan-3-one, 1,5-Di-2-furyl-3-pentanone, 1,5-difurylpentan-3-one, 3-Pentanone, 1,5-di-2-furyl-
Application Areas
Top 5 of 1 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C13H14O3 |
| Molecular Weight | 218.0943 g/mol |
| XLogP | 1.9 |
| Topological Polar Surface Area (TPSA) | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 218.0943 Da |
| Heavy Atoms | 16 |
| Complexity | 205.0 |
| SMILES | C1=COC(=C1)CCC(=O)CCC2=CC=CO2 |
| InChIKey | PUKWJEYNRZPXEX-UHFFFAOYSA-N |
Chemical Property Profile of 1,5-Di-2-furylpentan-3-one
Property Insights of 1,5-Di-2-furylpentan-3-one
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,5-Di-2-furylpentan-3-one. With a topological polar surface area (TPSA) of 43.4 Ų, 1,5-Di-2-furylpentan-3-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,5-Di-2-furylpentan-3-one 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 1,5-Di-2-furylpentan-3-one?
The CAS number of 1,5-Di-2-furylpentan-3-one is 6075-11-2.
What is the molecular formula of 1,5-Di-2-furylpentan-3-one?
The molecular formula of 1,5-Di-2-furylpentan-3-one is C13H14O3.
What is the molecular weight of 1,5-Di-2-furylpentan-3-one?
The molecular weight of 1,5-Di-2-furylpentan-3-one is 218.0943 g/mol.
Where can I buy 1,5-Di-2-furylpentan-3-one?
You can request a quote for 1,5-Di-2-furylpentan-3-one directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1,5-Di-2-furylpentan-3-one?
Yes, CoreyChem provides custom synthesis services for 1,5-Di-2-furylpentan-3-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.