beta-Oxo-alpha-phenyl-3-pyridinepropanenitrile
TL;DR: beta-Oxo-alpha-phenyl-3-pyridinepropanenitrile (CAS 14578-20-2) is a chemical compound with molecular formula C14H10N2O and molecular weight 222.07932 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-oxo-2-phenyl-3-pyridin-3-ylpropanenitrile
Also Known As: 3-Oxo-2-phenyl-3-(3-pyridyl)propanenitrile, beta-Oxo-alpha-Phenyl-3-pyridinepropanenitrile, 2-Cyano-2-phenyl-1-(3-pyridyl)ethanone, 3-oxo-2-phenyl-3-pyridin-3-ylpropanenitrile, 3-oxo-2-phenyl-3-pyridin-3-yl-propanenitrile
Technical Specifications
| Molecular Formula | C14H10N2O |
| Molecular Weight | 222.07932 g/mol |
| XLogP | 2.1 |
| Topological Polar Surface Area (TPSA) | 53.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 222.07932 Da |
| Heavy Atoms | 17 |
| Complexity | 311.0 |
| SMILES | C1=CC=C(C=C1)C(C#N)C(=O)C2=CN=CC=C2 |
| InChIKey | MRHMJGLJPOGNFH-UHFFFAOYSA-N |
Chemical Property Profile of beta-Oxo-alpha-phenyl-3-pyridinepropanenitrile
Property Insights of beta-Oxo-alpha-phenyl-3-pyridinepropanenitrile
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for beta-Oxo-alpha-phenyl-3-pyridinepropanenitrile. With a topological polar surface area (TPSA) of 53.8 Ų, beta-Oxo-alpha-phenyl-3-pyridinepropanenitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, beta-Oxo-alpha-phenyl-3-pyridinepropanenitrile 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 beta-Oxo-alpha-phenyl-3-pyridinepropanenitrile?
The CAS number of beta-Oxo-alpha-phenyl-3-pyridinepropanenitrile is 14578-20-2.
What is the molecular formula of beta-Oxo-alpha-phenyl-3-pyridinepropanenitrile?
The molecular formula of beta-Oxo-alpha-phenyl-3-pyridinepropanenitrile is C14H10N2O.
What is the molecular weight of beta-Oxo-alpha-phenyl-3-pyridinepropanenitrile?
The molecular weight of beta-Oxo-alpha-phenyl-3-pyridinepropanenitrile is 222.07932 g/mol.
Where can I buy beta-Oxo-alpha-phenyl-3-pyridinepropanenitrile?
You can request a quote for beta-Oxo-alpha-phenyl-3-pyridinepropanenitrile directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for beta-Oxo-alpha-phenyl-3-pyridinepropanenitrile?
Yes, CoreyChem provides custom synthesis services for beta-Oxo-alpha-phenyl-3-pyridinepropanenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.