![Benzonitrile, 4-[3-(2-fluoroethyl)-1-triazenyl]- structure](/static/products/7860/78604-18-9.webp)
Benzonitrile, 4-[3-(2-fluoroethyl)-1-triazenyl]-
TL;DR: Benzonitrile, 4-[3-(2-fluoroethyl)-1-triazenyl]- (CAS 78604-18-9) is a chemical compound with molecular formula C9H9FN4 and molecular weight 192.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[2-(2-fluoroethylimino)hydrazinyl]benzonitrile
Also Known As: 4-[2-(2-fluoroethylimino)hydrazinyl]benzonitrile, Benzonitrile, 4-[3-(2-fluoroethyl)-1-triazenyl]-, 4-(2-(2-fluoroethylimino)hydrazinyl)benzonitrile, 4-[(2E)-3-(2-Fluoroethyl)triaz-2-en-1-yl]benzonitrile
| Molecular Formula | C9H9FN4 |
|---|---|
| Molecular Weight | 192.08 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 60.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 192.08113 |
| Heavy Atoms | 14 |
| Complexity | 224.0 |
Chemical Identifiers
| CAS Number | 78604-18-9 |
|---|---|
| SMILES | C1=CC(=CC=C1C#N)NN=NCCF |
| InChIKey | XDTFDUWIVGMUSH-UHFFFAOYSA-N |
Product Overview
Benzonitrile, 4-[3-(2-fluoroethyl)-1-triazenyl]- (CAS 78604-18-9), with molecular formula C9H9FN4 and molecular weight 192.08 g/mol. IUPAC: 4-[2-(2-fluoroethylimino)hydrazinyl]benzonitrile.
Chemical Property Profile of Benzonitrile, 4-[3-(2-fluoroethyl)-1-triazenyl]-
Property Insights of Benzonitrile, 4-[3-(2-fluoroethyl)-1-triazenyl]-
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzonitrile, 4-[3-(2-fluoroethyl)-1-triazenyl]-. The TPSA of 60.5 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzonitrile, 4-[3-(2-fluoroethyl)-1-triazenyl]-. Following Lipinski's Rule of Five, Benzonitrile, 4-[3-(2-fluoroethyl)-1-triazenyl]- 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
Frequently Asked Questions
What is the CAS number of Benzonitrile, 4-[3-(2-fluoroethyl)-1-triazenyl]-?
The CAS number of Benzonitrile, 4-[3-(2-fluoroethyl)-1-triazenyl]- is 78604-18-9.
What is the molecular formula of Benzonitrile, 4-[3-(2-fluoroethyl)-1-triazenyl]-?
The molecular formula of Benzonitrile, 4-[3-(2-fluoroethyl)-1-triazenyl]- is C9H9FN4.
What is the molecular weight of Benzonitrile, 4-[3-(2-fluoroethyl)-1-triazenyl]-?
The molecular weight of Benzonitrile, 4-[3-(2-fluoroethyl)-1-triazenyl]- is 192.08 g/mol.
Where can I buy Benzonitrile, 4-[3-(2-fluoroethyl)-1-triazenyl]-?
You can request a quote for Benzonitrile, 4-[3-(2-fluoroethyl)-1-triazenyl]- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzonitrile, 4-[3-(2-fluoroethyl)-1-triazenyl]-?
Yes, KEHONG BIO provides custom synthesis services for Benzonitrile, 4-[3-(2-fluoroethyl)-1-triazenyl]- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.