2-(3-Benzoylphenyl)propionitrile, (S)-
TL;DR: 2-(3-Benzoylphenyl)propionitrile, (S)- (CAS 1421692-22-9) is a chemical compound with molecular formula C16H13NO and molecular weight 235.09972 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2S)-2-(3-benzoylphenyl)propanenitrile
Also Known As: 2-(3-Benzoylphenyl)propionitrile, (S)-, (-)-2-(3-Benzoylphenyl)propanenitrile, (S)-2-(3-Benzoylphenyl)propanenitrile, (S)-2-(3-Benzoylphenyl)propionitrile, (2S)-2-(3-benzoylphenyl)propanenitrile
Technical Specifications
| Molecular Formula | C16H13NO |
| Molecular Weight | 235.09972 g/mol |
| XLogP | 3.3 |
| Topological Polar Surface Area (TPSA) | 40.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 235.09972 Da |
| Heavy Atoms | 18 |
| Complexity | 334.0 |
| SMILES | C[C@H](C#N)C1=CC(=CC=C1)C(=O)C2=CC=CC=C2 |
| InChIKey | RGYOCHMZSLUCNP-GFCCVEGCSA-N |
Chemical Property Profile of 2-(3-Benzoylphenyl)propionitrile, (S)-
Property Insights of 2-(3-Benzoylphenyl)propionitrile, (S)-
The XLogP value of 3.3 indicates that 2-(3-Benzoylphenyl)propionitrile, (S)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 40.9 Ų, 2-(3-Benzoylphenyl)propionitrile, (S)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(3-Benzoylphenyl)propionitrile, (S)- 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 2-(3-Benzoylphenyl)propionitrile, (S)-?
The CAS number of 2-(3-Benzoylphenyl)propionitrile, (S)- is 1421692-22-9.
What is the molecular formula of 2-(3-Benzoylphenyl)propionitrile, (S)-?
The molecular formula of 2-(3-Benzoylphenyl)propionitrile, (S)- is C16H13NO.
What is the molecular weight of 2-(3-Benzoylphenyl)propionitrile, (S)-?
The molecular weight of 2-(3-Benzoylphenyl)propionitrile, (S)- is 235.09972 g/mol.
Where can I buy 2-(3-Benzoylphenyl)propionitrile, (S)-?
You can request a quote for 2-(3-Benzoylphenyl)propionitrile, (S)- directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-(3-Benzoylphenyl)propionitrile, (S)-?
Yes, CoreyChem provides custom synthesis services for 2-(3-Benzoylphenyl)propionitrile, (S)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.