![4-[(E)-3-pyridin-4-ylprop-2-enoyl]benzonitrile structure](/static/products/159/159429-65-9.webp)
4-[(E)-3-pyridin-4-ylprop-2-enoyl]benzonitrile
TL;DR: 4-[(E)-3-pyridin-4-ylprop-2-enoyl]benzonitrile (CAS 159429-65-9) is a chemical compound with molecular formula C15H10N2O and molecular weight 234.07932 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-[(E)-3-pyridin-4-ylprop-2-enoyl]benzonitrile
Also Known As: (E)-4-(3-(pyridin-4-yl)acryloyl)benzonitrile, 4-[3-(pyridin-4-yl)prop-2-enoyl]benzonitrile, 4-[(E)-3-pyridin-4-ylprop-2-enoyl]benzonitrile, 4-[1-Oxo-3-(4-pyridyl)-2-propenyl]benzonitrile
Technical Specifications
| Molecular Formula | C15H10N2O |
| Molecular Weight | 234.07932 g/mol |
| XLogP | 2.3 |
| Topological Polar Surface Area (TPSA) | 53.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 234.07932 Da |
| Heavy Atoms | 18 |
| Complexity | 352.0 |
| SMILES | C1=CC(=CC=C1C#N)C(=O)/C=C/C2=CC=NC=C2 |
| InChIKey | TZTOMGCDFBAGDX-ZZXKWVIFSA-N |
Chemical Property Profile of 4-[(E)-3-pyridin-4-ylprop-2-enoyl]benzonitrile
Property Insights of 4-[(E)-3-pyridin-4-ylprop-2-enoyl]benzonitrile
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-[(E)-3-pyridin-4-ylprop-2-enoyl]benzonitrile. With a topological polar surface area (TPSA) of 53.8 Ų, 4-[(E)-3-pyridin-4-ylprop-2-enoyl]benzonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-[(E)-3-pyridin-4-ylprop-2-enoyl]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-[(E)-3-pyridin-4-ylprop-2-enoyl]benzonitrile?
The CAS number of 4-[(E)-3-pyridin-4-ylprop-2-enoyl]benzonitrile is 159429-65-9.
What is the molecular formula of 4-[(E)-3-pyridin-4-ylprop-2-enoyl]benzonitrile?
The molecular formula of 4-[(E)-3-pyridin-4-ylprop-2-enoyl]benzonitrile is C15H10N2O.
What is the molecular weight of 4-[(E)-3-pyridin-4-ylprop-2-enoyl]benzonitrile?
The molecular weight of 4-[(E)-3-pyridin-4-ylprop-2-enoyl]benzonitrile is 234.07932 g/mol.
Where can I buy 4-[(E)-3-pyridin-4-ylprop-2-enoyl]benzonitrile?
You can request a quote for 4-[(E)-3-pyridin-4-ylprop-2-enoyl]benzonitrile directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-[(E)-3-pyridin-4-ylprop-2-enoyl]benzonitrile?
Yes, CoreyChem provides custom synthesis services for 4-[(E)-3-pyridin-4-ylprop-2-enoyl]benzonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.