![4-[(2E)-3-(2-Bromoethyl)triaz-2-en-1-yl]benzonitrile structure](/static/products/7860/78604-20-3.webp)
4-[(2E)-3-(2-Bromoethyl)triaz-2-en-1-yl]benzonitrile
TL;DR: 4-[(2E)-3-(2-Bromoethyl)triaz-2-en-1-yl]benzonitrile (CAS 78604-20-3) is a chemical compound with molecular formula C9H9BrN4 and molecular weight 252.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[2-(2-bromoethylimino)hydrazinyl]benzonitrile
Also Known As: 4-[2-(2-bromoethylimino)hydrazinyl]benzonitrile, 4-(2-(2-bromoethylimino)hydrazinyl)benzonitrile, 4-[(2E)-3-(2-Bromoethyl)triaz-2-en-1-yl]benzonitrile
| Molecular Formula | C9H9BrN4 |
|---|---|
| Molecular Weight | 252.00 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 60.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 252.00105 |
| Heavy Atoms | 14 |
| Complexity | 224.0 |
Chemical Identifiers
| CAS Number | 78604-20-3 |
|---|---|
| SMILES | C1=CC(=CC=C1C#N)NN=NCCBr |
| InChIKey | KWEHPAHJWZIAMS-UHFFFAOYSA-N |
Product Overview
4-[(2E)-3-(2-Bromoethyl)triaz-2-en-1-yl]benzonitrile (CAS 78604-20-3), with molecular formula C9H9BrN4 and molecular weight 252.00 g/mol. IUPAC: 4-[2-(2-bromoethylimino)hydrazinyl]benzonitrile.
Chemical Property Profile of 4-[(2E)-3-(2-Bromoethyl)triaz-2-en-1-yl]benzonitrile
Property Insights of 4-[(2E)-3-(2-Bromoethyl)triaz-2-en-1-yl]benzonitrile
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-[(2E)-3-(2-Bromoethyl)triaz-2-en-1-yl]benzonitrile. The TPSA of 60.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-[(2E)-3-(2-Bromoethyl)triaz-2-en-1-yl]benzonitrile. Following Lipinski's Rule of Five, 4-[(2E)-3-(2-Bromoethyl)triaz-2-en-1-yl]benzonitrile 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
Frequently Asked Questions
What is the CAS number of 4-[(2E)-3-(2-Bromoethyl)triaz-2-en-1-yl]benzonitrile?
The CAS number of 4-[(2E)-3-(2-Bromoethyl)triaz-2-en-1-yl]benzonitrile is 78604-20-3.
What is the molecular formula of 4-[(2E)-3-(2-Bromoethyl)triaz-2-en-1-yl]benzonitrile?
The molecular formula of 4-[(2E)-3-(2-Bromoethyl)triaz-2-en-1-yl]benzonitrile is C9H9BrN4.
What is the molecular weight of 4-[(2E)-3-(2-Bromoethyl)triaz-2-en-1-yl]benzonitrile?
The molecular weight of 4-[(2E)-3-(2-Bromoethyl)triaz-2-en-1-yl]benzonitrile is 252.00 g/mol.
Where can I buy 4-[(2E)-3-(2-Bromoethyl)triaz-2-en-1-yl]benzonitrile?
You can request a quote for 4-[(2E)-3-(2-Bromoethyl)triaz-2-en-1-yl]benzonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-[(2E)-3-(2-Bromoethyl)triaz-2-en-1-yl]benzonitrile?
Yes, KEHONG BIO provides custom synthesis services for 4-[(2E)-3-(2-Bromoethyl)triaz-2-en-1-yl]benzonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.