(3-Benzoylphenyl)ethanenitrile
TL;DR: (3-Benzoylphenyl)ethanenitrile (CAS 21288-34-6) is a chemical compound with molecular formula C15H11NO and molecular weight 221.08406 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(3-benzoylphenyl)acetonitrile
Also Known As: 3-Benzoylphenylacetonitrile, (3-Benzoylphenyl)acetonitrile, 2-(3-benzoylphenyl)acetonitrile, (3-Benzoylphenyl)ethanenitrile, Ibutilide
Application Areas
Top 5 of 5 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C15H11NO |
| Molecular Weight | 221.08406 g/mol |
| XLogP | 2.8 |
| Topological Polar Surface Area (TPSA) | 40.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 221.08406 Da |
| Heavy Atoms | 17 |
| Complexity | 308.0 |
| SMILES | C1=CC=C(C=C1)C(=O)C2=CC=CC(=C2)CC#N |
| InChIKey | MHKMCTCMEDUINO-UHFFFAOYSA-N |
Chemical Property Profile of (3-Benzoylphenyl)ethanenitrile
Property Insights of (3-Benzoylphenyl)ethanenitrile
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (3-Benzoylphenyl)ethanenitrile. With a topological polar surface area (TPSA) of 40.9 Ų, (3-Benzoylphenyl)ethanenitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (3-Benzoylphenyl)ethanenitrile 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-Benzoylphenyl)ethanenitrile?
The CAS number of (3-Benzoylphenyl)ethanenitrile is 21288-34-6.
What is the molecular formula of (3-Benzoylphenyl)ethanenitrile?
The molecular formula of (3-Benzoylphenyl)ethanenitrile is C15H11NO.
What is the molecular weight of (3-Benzoylphenyl)ethanenitrile?
The molecular weight of (3-Benzoylphenyl)ethanenitrile is 221.08406 g/mol.
Where can I buy (3-Benzoylphenyl)ethanenitrile?
You can request a quote for (3-Benzoylphenyl)ethanenitrile directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for (3-Benzoylphenyl)ethanenitrile?
Yes, CoreyChem provides custom synthesis services for (3-Benzoylphenyl)ethanenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.