4-Fluorobenzylidenecyanoacetic acid
TL;DR: 4-Fluorobenzylidenecyanoacetic acid (CAS 122520-74-5) is a chemical compound with molecular formula C10H6FNO2 and molecular weight 191.03825 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-cyano-3-(4-fluorophenyl)prop-2-enoic acid
Also Known As: 2-cyano-3-(4-fluorophenyl)prop-2-enoic acid, ?-Cyano-4-fluorocinnamic acid, 4-fluorobenzylidenecyanoacetic acid, alpha-Cyano-4-fluorocinnamic acid, 2-Cyano-3-(4-fluoro-phenyl)-acrylic acid
Application Areas
Top 5 of 2 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C10H6FNO2 |
| Molecular Weight | 191.03825 g/mol |
| XLogP | 1.9 |
| Topological Polar Surface Area (TPSA) | 61.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 191.03825 Da |
| Heavy Atoms | 14 |
| Complexity | 294.0 |
| SMILES | C1=CC(=CC=C1C=C(C#N)C(=O)O)F |
| InChIKey | OBZAFMILNGLRAL-UHFFFAOYSA-N |
Chemical Property Profile of 4-Fluorobenzylidenecyanoacetic acid
Property Insights of 4-Fluorobenzylidenecyanoacetic acid
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Fluorobenzylidenecyanoacetic acid. The TPSA of 61.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Fluorobenzylidenecyanoacetic acid. Following Lipinski's Rule of Five, 4-Fluorobenzylidenecyanoacetic acid has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 4-Fluorobenzylidenecyanoacetic acid?
The CAS number of 4-Fluorobenzylidenecyanoacetic acid is 122520-74-5.
What is the molecular formula of 4-Fluorobenzylidenecyanoacetic acid?
The molecular formula of 4-Fluorobenzylidenecyanoacetic acid is C10H6FNO2.
What is the molecular weight of 4-Fluorobenzylidenecyanoacetic acid?
The molecular weight of 4-Fluorobenzylidenecyanoacetic acid is 191.03825 g/mol.
Where can I buy 4-Fluorobenzylidenecyanoacetic acid?
You can request a quote for 4-Fluorobenzylidenecyanoacetic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-Fluorobenzylidenecyanoacetic acid?
Yes, CoreyChem provides custom synthesis services for 4-Fluorobenzylidenecyanoacetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.