2-((3-Chloro-4-fluorophenyl)azo)-2-cyanoacetamide
TL;DR: 2-((3-Chloro-4-fluorophenyl)azo)-2-cyanoacetamide (CAS 159831-71-7) is a chemical compound with molecular formula C9H6ClFN4O and molecular weight 240.02142 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[(3-chloro-4-fluorophenyl)diazenyl]-2-cyanoacetamide
Also Known As: 2-((3-Chloro-4-fluorophenyl)azo)-2-cyanoacetamide, Acetamide, 2-((3-chloro-4-fluorophenyl)azo)-2-cyano-, 2-[(3-chloro-4-fluorophenyl)diazenyl]-2-cyanoacetamide
Technical Specifications
| Molecular Formula | C9H6ClFN4O |
| Molecular Weight | 240.02142 g/mol |
| XLogP | 1.8 |
| Topological Polar Surface Area (TPSA) | 91.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 240.02142 Da |
| Heavy Atoms | 16 |
| Complexity | 340.0 |
| SMILES | C1=CC(=C(C=C1N=NC(C#N)C(=O)N)Cl)F |
| InChIKey | XDXCCCLJIHCNIL-UHFFFAOYSA-N |
Chemical Property Profile of 2-((3-Chloro-4-fluorophenyl)azo)-2-cyanoacetamide
Property Insights of 2-((3-Chloro-4-fluorophenyl)azo)-2-cyanoacetamide
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-((3-Chloro-4-fluorophenyl)azo)-2-cyanoacetamide. The TPSA of 91.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-((3-Chloro-4-fluorophenyl)azo)-2-cyanoacetamide. Following Lipinski's Rule of Five, 2-((3-Chloro-4-fluorophenyl)azo)-2-cyanoacetamide has 1 hydrogen bond donor(s) and 5 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-Chloro-4-fluorophenyl)azo)-2-cyanoacetamide?
The CAS number of 2-((3-Chloro-4-fluorophenyl)azo)-2-cyanoacetamide is 159831-71-7.
What is the molecular formula of 2-((3-Chloro-4-fluorophenyl)azo)-2-cyanoacetamide?
The molecular formula of 2-((3-Chloro-4-fluorophenyl)azo)-2-cyanoacetamide is C9H6ClFN4O.
What is the molecular weight of 2-((3-Chloro-4-fluorophenyl)azo)-2-cyanoacetamide?
The molecular weight of 2-((3-Chloro-4-fluorophenyl)azo)-2-cyanoacetamide is 240.02142 g/mol.
Where can I buy 2-((3-Chloro-4-fluorophenyl)azo)-2-cyanoacetamide?
You can request a quote for 2-((3-Chloro-4-fluorophenyl)azo)-2-cyanoacetamide directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-((3-Chloro-4-fluorophenyl)azo)-2-cyanoacetamide?
Yes, CoreyChem provides custom synthesis services for 2-((3-Chloro-4-fluorophenyl)azo)-2-cyanoacetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.