3-Oxo-3-phenyl-2-(pyridin-2-yl)propanenitrile
TL;DR: 3-Oxo-3-phenyl-2-(pyridin-2-yl)propanenitrile (CAS 39079-48-6) is a chemical compound with molecular formula C14H10N2O and molecular weight 222.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-oxo-3-phenyl-2-pyridin-2-ylpropanenitrile
Also Known As: 2-pyridineacetonitrile, a-benzoyl-, 3-oxo-3-phenyl-2-(pyridin-2-yl)propanenitrile, 3-oxo-3-phenyl-2-pyridin-2-ylpropanenitrile
| Molecular Formula | C14H10N2O |
|---|---|
| Molecular Weight | 222.08 g/mol |
| LogP | 2.57168 |
| Topological Polar Surface Area | 53.75 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 222.07932 |
| Heavy Atoms | 17 |
| Complexity | 543.4398 |
Chemical Identifiers
| CAS Number | 39079-48-6 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=O)C(C#N)C2=CC=CC=N2 |
Product Overview
3-Oxo-3-phenyl-2-(pyridin-2-yl)propanenitrile (CAS 39079-48-6), with molecular formula C14H10N2O and molecular weight 222.08 g/mol. IUPAC: 3-oxo-3-phenyl-2-pyridin-2-ylpropanenitrile.
Chemical Property Profile of 3-Oxo-3-phenyl-2-(pyridin-2-yl)propanenitrile
Property Insights of 3-Oxo-3-phenyl-2-(pyridin-2-yl)propanenitrile
The XLogP value of 2.57168 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Oxo-3-phenyl-2-(pyridin-2-yl)propanenitrile. With a topological polar surface area (TPSA) of 53.75 Ų, 3-Oxo-3-phenyl-2-(pyridin-2-yl)propanenitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Oxo-3-phenyl-2-(pyridin-2-yl)propanenitrile 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
Frequently Asked Questions
What is the CAS number of 3-Oxo-3-phenyl-2-(pyridin-2-yl)propanenitrile?
The CAS number of 3-Oxo-3-phenyl-2-(pyridin-2-yl)propanenitrile is 39079-48-6.
What is the molecular formula of 3-Oxo-3-phenyl-2-(pyridin-2-yl)propanenitrile?
The molecular formula of 3-Oxo-3-phenyl-2-(pyridin-2-yl)propanenitrile is C14H10N2O.
What is the molecular weight of 3-Oxo-3-phenyl-2-(pyridin-2-yl)propanenitrile?
The molecular weight of 3-Oxo-3-phenyl-2-(pyridin-2-yl)propanenitrile is 222.08 g/mol.
Where can I buy 3-Oxo-3-phenyl-2-(pyridin-2-yl)propanenitrile?
You can request a quote for 3-Oxo-3-phenyl-2-(pyridin-2-yl)propanenitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Oxo-3-phenyl-2-(pyridin-2-yl)propanenitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-Oxo-3-phenyl-2-(pyridin-2-yl)propanenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.