![2-[(S)-cyano-(4-fluorophenyl)methyl]benzonitrile structure](/static/products/116/116617-31-3.webp)
2-[(S)-cyano-(4-fluorophenyl)methyl]benzonitrile
TL;DR: 2-[(S)-cyano-(4-fluorophenyl)methyl]benzonitrile (CAS 116617-31-3) is a chemical compound with molecular formula C15H9FN2 and molecular weight 236.07498 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[(S)-cyano-(4-fluorophenyl)methyl]benzonitrile
Also Known As: 2-[(S)-cyano-(4-fluorophenyl)methyl]benzonitrile, 2-[Cyano(4-fluorophenyl)methyl]benzenecarbonitrile
Technical Specifications
| Molecular Formula | C15H9FN2 |
| Molecular Weight | 236.07498 g/mol |
| XLogP | 3.1 |
| Topological Polar Surface Area (TPSA) | 47.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 236.07498 Da |
| Heavy Atoms | 18 |
| Complexity | 366.0 |
| SMILES | C1=CC=C(C(=C1)C#N)[C@@H](C#N)C2=CC=C(C=C2)F |
| InChIKey | BRHKEEJUFXPRIJ-HNNXBMFYSA-N |
Chemical Property Profile of 2-[(S)-cyano-(4-fluorophenyl)methyl]benzonitrile
Property Insights of 2-[(S)-cyano-(4-fluorophenyl)methyl]benzonitrile
The XLogP value of 3.1 indicates that 2-[(S)-cyano-(4-fluorophenyl)methyl]benzonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 47.6 Ų, 2-[(S)-cyano-(4-fluorophenyl)methyl]benzonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-[(S)-cyano-(4-fluorophenyl)methyl]benzonitrile 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 2-[(S)-cyano-(4-fluorophenyl)methyl]benzonitrile?
The CAS number of 2-[(S)-cyano-(4-fluorophenyl)methyl]benzonitrile is 116617-31-3.
What is the molecular formula of 2-[(S)-cyano-(4-fluorophenyl)methyl]benzonitrile?
The molecular formula of 2-[(S)-cyano-(4-fluorophenyl)methyl]benzonitrile is C15H9FN2.
What is the molecular weight of 2-[(S)-cyano-(4-fluorophenyl)methyl]benzonitrile?
The molecular weight of 2-[(S)-cyano-(4-fluorophenyl)methyl]benzonitrile is 236.07498 g/mol.
Where can I buy 2-[(S)-cyano-(4-fluorophenyl)methyl]benzonitrile?
You can request a quote for 2-[(S)-cyano-(4-fluorophenyl)methyl]benzonitrile directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-[(S)-cyano-(4-fluorophenyl)methyl]benzonitrile?
Yes, CoreyChem provides custom synthesis services for 2-[(S)-cyano-(4-fluorophenyl)methyl]benzonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.