![4-[3-(2-Furyl)-3-oxo-1-propenyl]benzonitrile structure](/static/products/116/1164497-77-1.webp)
4-[3-(2-Furyl)-3-oxo-1-propenyl]benzonitrile
TL;DR: 4-[3-(2-Furyl)-3-oxo-1-propenyl]benzonitrile (CAS 1164497-77-1) is a chemical compound with molecular formula C14H9NO2 and molecular weight 223.06332 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-[(E)-3-(furan-2-yl)-3-oxoprop-1-enyl]benzonitrile
Also Known As: 4-[3-(2-furyl)-3-oxo-1-propenyl]benzonitrile, 4-[(E)-3-(furan-2-yl)-3-oxoprop-1-enyl]benzonitrile, AA-504/36570035
Technical Specifications
| Molecular Formula | C14H9NO2 |
| Molecular Weight | 223.06332 g/mol |
| XLogP | 2.8 |
| Topological Polar Surface Area (TPSA) | 54.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 223.06332 Da |
| Heavy Atoms | 17 |
| Complexity | 344.0 |
| SMILES | C1=COC(=C1)C(=O)/C=C/C2=CC=C(C=C2)C#N |
| InChIKey | QABUBCOEYRVELH-BQYQJAHWSA-N |
Chemical Property Profile of 4-[3-(2-Furyl)-3-oxo-1-propenyl]benzonitrile
Property Insights of 4-[3-(2-Furyl)-3-oxo-1-propenyl]benzonitrile
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-[3-(2-Furyl)-3-oxo-1-propenyl]benzonitrile. With a topological polar surface area (TPSA) of 54.0 Ų, 4-[3-(2-Furyl)-3-oxo-1-propenyl]benzonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-[3-(2-Furyl)-3-oxo-1-propenyl]benzonitrile 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 4-[3-(2-Furyl)-3-oxo-1-propenyl]benzonitrile?
The CAS number of 4-[3-(2-Furyl)-3-oxo-1-propenyl]benzonitrile is 1164497-77-1.
What is the molecular formula of 4-[3-(2-Furyl)-3-oxo-1-propenyl]benzonitrile?
The molecular formula of 4-[3-(2-Furyl)-3-oxo-1-propenyl]benzonitrile is C14H9NO2.
What is the molecular weight of 4-[3-(2-Furyl)-3-oxo-1-propenyl]benzonitrile?
The molecular weight of 4-[3-(2-Furyl)-3-oxo-1-propenyl]benzonitrile is 223.06332 g/mol.
Where can I buy 4-[3-(2-Furyl)-3-oxo-1-propenyl]benzonitrile?
You can request a quote for 4-[3-(2-Furyl)-3-oxo-1-propenyl]benzonitrile directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-[3-(2-Furyl)-3-oxo-1-propenyl]benzonitrile?
Yes, CoreyChem provides custom synthesis services for 4-[3-(2-Furyl)-3-oxo-1-propenyl]benzonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.