![5-Benzo[e]benzotriazol-2-yl-2-[2-(4-chlorophenyl)ethenyl]benzonitrile structure](/static/products/5516/5516-20-1.webp)
5-Benzo[e]benzotriazol-2-yl-2-[2-(4-chlorophenyl)ethenyl]benzonitrile
TL;DR: 5-Benzo[e]benzotriazol-2-yl-2-[2-(4-chlorophenyl)ethenyl]benzonitrile (CAS 5516-20-1) is a chemical compound with molecular formula C25H15ClN4 and molecular weight 406.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-benzo[e]benzotriazol-2-yl-2-[2-(4-chlorophenyl)ethenyl]benzonitrile
Also Known As: 2-[2- vinyl]-5- benzonitrile, 2-[2-(4-CHLOROPHENYL)VINYL]-5-(2H-NAPHTHO[1,2-D]TRIAZOL-2-YL)-BENZONITRILE, Benzonitrile, 2-[2-(4-chlorophenyl)ethenyl]-5-(2H-naphtho[1,2-d]triazol-2-yl)-
| Molecular Formula | C25H15ClN4 |
|---|---|
| Molecular Weight | 406.10 g/mol |
| LogP | 7.2 |
| Topological Polar Surface Area | 54.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 406.0985 |
| Heavy Atoms | 30 |
| Complexity | 663.0 |
Chemical Identifiers
| CAS Number | 5516-20-1 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C=CC3=NN(N=C32)C4=CC(=C(C=C4)C=CC5=CC=C(C=C5)Cl)C#N |
| InChIKey | VZMOHDAVPDNZFE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5-Benzo[e]benzotriazol-2-yl-2-[2-(4-chlorophenyl)ethenyl]benzonitrile (CAS 5516-20-1), with molecular formula C25H15ClN4 and molecular weight 406.10 g/mol. IUPAC: 5-benzo[e]benzotriazol-2-yl-2-[2-(4-chlorophenyl)ethenyl]benzonitrile.
Chemical Property Profile of 5-Benzo[e]benzotriazol-2-yl-2-[2-(4-chlorophenyl)ethenyl]benzonitrile
Property Insights of 5-Benzo[e]benzotriazol-2-yl-2-[2-(4-chlorophenyl)ethenyl]benzonitrile
The XLogP value of 7.2 indicates that 5-Benzo[e]benzotriazol-2-yl-2-[2-(4-chlorophenyl)ethenyl]benzonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.5 Ų, 5-Benzo[e]benzotriazol-2-yl-2-[2-(4-chlorophenyl)ethenyl]benzonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Benzo[e]benzotriazol-2-yl-2-[2-(4-chlorophenyl)ethenyl]benzonitrile has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 5-Benzo[e]benzotriazol-2-yl-2-[2-(4-chlorophenyl)ethenyl]benzonitrile?
The CAS number of 5-Benzo[e]benzotriazol-2-yl-2-[2-(4-chlorophenyl)ethenyl]benzonitrile is 5516-20-1.
What is the molecular formula of 5-Benzo[e]benzotriazol-2-yl-2-[2-(4-chlorophenyl)ethenyl]benzonitrile?
The molecular formula of 5-Benzo[e]benzotriazol-2-yl-2-[2-(4-chlorophenyl)ethenyl]benzonitrile is C25H15ClN4.
What is the molecular weight of 5-Benzo[e]benzotriazol-2-yl-2-[2-(4-chlorophenyl)ethenyl]benzonitrile?
The molecular weight of 5-Benzo[e]benzotriazol-2-yl-2-[2-(4-chlorophenyl)ethenyl]benzonitrile is 406.10 g/mol.
Where can I buy 5-Benzo[e]benzotriazol-2-yl-2-[2-(4-chlorophenyl)ethenyl]benzonitrile?
You can request a quote for 5-Benzo[e]benzotriazol-2-yl-2-[2-(4-chlorophenyl)ethenyl]benzonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Benzo[e]benzotriazol-2-yl-2-[2-(4-chlorophenyl)ethenyl]benzonitrile?
Yes, KEHONG BIO provides custom synthesis services for 5-Benzo[e]benzotriazol-2-yl-2-[2-(4-chlorophenyl)ethenyl]benzonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.