3,4-Dimethyl-5-pentylidenefuran-2(5H)-one
TL;DR: 3,4-Dimethyl-5-pentylidenefuran-2(5H)-one (CAS 774-64-1) is a chemical compound with molecular formula C11H16O2 and molecular weight 180.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,4-dimethyl-5-pentylidenefuran-2-one
Also Known As: Bovolide, 3,4-Dimethyl-5-pentylidenefuran-2(5H)-one, 3,4-Dimethyl-5-pentylidene-2(5H)-furanone, 3,4-dimethyl-5-pentylidene-furan-2-one, 3,4-DIMETHYL-5-PENTYLIDENEFURAN-2-ONE
| Molecular Formula | C11H16O2 |
|---|---|
| Molecular Weight | 180.12 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 180.11504 |
| Heavy Atoms | 13 |
| Complexity | 272.0 |
| Density | 0.950-1.000 (20°) |
| Solubility | Soluble in non-polar solvents; insoluble in water |
| Refractive Index | 1.560-1.575 |
Chemical Identifiers
| CAS Number | 774-64-1 |
|---|---|
| SMILES | CCCCC=C1C(=C(C(=O)O1)C)C |
| InChIKey | MTQPZHNZYWAXEH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3,4-Dimethyl-5-pentylidenefuran-2(5H)-one (CAS 774-64-1), with molecular formula C11H16O2 and molecular weight 180.12 g/mol. IUPAC: 3,4-dimethyl-5-pentylidenefuran-2-one.
Chemical Property Profile of 3,4-Dimethyl-5-pentylidenefuran-2(5H)-one
Property Insights of 3,4-Dimethyl-5-pentylidenefuran-2(5H)-one
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,4-Dimethyl-5-pentylidenefuran-2(5H)-one. With a topological polar surface area (TPSA) of 26.3 Ų, 3,4-Dimethyl-5-pentylidenefuran-2(5H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,4-Dimethyl-5-pentylidenefuran-2(5H)-one has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3,4-Dimethyl-5-pentylidenefuran-2(5H)-one?
The CAS number of 3,4-Dimethyl-5-pentylidenefuran-2(5H)-one is 774-64-1.
What is the molecular formula of 3,4-Dimethyl-5-pentylidenefuran-2(5H)-one?
The molecular formula of 3,4-Dimethyl-5-pentylidenefuran-2(5H)-one is C11H16O2.
What is the molecular weight of 3,4-Dimethyl-5-pentylidenefuran-2(5H)-one?
The molecular weight of 3,4-Dimethyl-5-pentylidenefuran-2(5H)-one is 180.12 g/mol.
Where can I buy 3,4-Dimethyl-5-pentylidenefuran-2(5H)-one?
You can request a quote for 3,4-Dimethyl-5-pentylidenefuran-2(5H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,4-Dimethyl-5-pentylidenefuran-2(5H)-one?
Yes, KEHONG BIO provides custom synthesis services for 3,4-Dimethyl-5-pentylidenefuran-2(5H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.