3-Naphthalen-2-yl-3-oxo-2-phenylpropanenitrile
TL;DR: 3-Naphthalen-2-yl-3-oxo-2-phenylpropanenitrile (CAS 109553-64-2) is a chemical compound with molecular formula C19H13NO and molecular weight 271.0997 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-naphthalen-2-yl-3-oxo-2-phenylpropanenitrile
Also Known As: 2-naphthalenepropanenitrile, b-oxo-a-phenyl-, 3-naphthalen-2-yl-3-oxo-2-phenylpropanenitrile
Technical Specifications
| Molecular Formula | C19H13NO |
| Molecular Weight | 271.0997 g/mol |
| XLogP | 4.4 |
| Topological Polar Surface Area (TPSA) | 40.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 271.0997 Da |
| Heavy Atoms | 21 |
| Complexity | 415.0 |
| SMILES | C1=CC=C(C=C1)C(C#N)C(=O)C2=CC3=CC=CC=C3C=C2 |
| InChIKey | PIHZDVMVGBCPPN-UHFFFAOYSA-N |
Chemical Property Profile of 3-Naphthalen-2-yl-3-oxo-2-phenylpropanenitrile
Property Insights of 3-Naphthalen-2-yl-3-oxo-2-phenylpropanenitrile
The XLogP value of 4.4 indicates that 3-Naphthalen-2-yl-3-oxo-2-phenylpropanenitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 40.9 Ų, 3-Naphthalen-2-yl-3-oxo-2-phenylpropanenitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Naphthalen-2-yl-3-oxo-2-phenylpropanenitrile 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
What is the CAS number of 3-Naphthalen-2-yl-3-oxo-2-phenylpropanenitrile?
The CAS number of 3-Naphthalen-2-yl-3-oxo-2-phenylpropanenitrile is 109553-64-2.
What is the molecular formula of 3-Naphthalen-2-yl-3-oxo-2-phenylpropanenitrile?
The molecular formula of 3-Naphthalen-2-yl-3-oxo-2-phenylpropanenitrile is C19H13NO.
What is the molecular weight of 3-Naphthalen-2-yl-3-oxo-2-phenylpropanenitrile?
The molecular weight of 3-Naphthalen-2-yl-3-oxo-2-phenylpropanenitrile is 271.0997 g/mol.
Where can I buy 3-Naphthalen-2-yl-3-oxo-2-phenylpropanenitrile?
You can request a quote for 3-Naphthalen-2-yl-3-oxo-2-phenylpropanenitrile directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-Naphthalen-2-yl-3-oxo-2-phenylpropanenitrile?
Yes, CoreyChem provides custom synthesis services for 3-Naphthalen-2-yl-3-oxo-2-phenylpropanenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.