![2-[(1e)-3-(4-Cyanophenyl)triaz-1-en-1-yl]benzonitrile structure](/static/products/5269/52698-00-7.webp)
2-[(1e)-3-(4-Cyanophenyl)triaz-1-en-1-yl]benzonitrile
TL;DR: 2-[(1e)-3-(4-Cyanophenyl)triaz-1-en-1-yl]benzonitrile (CAS 52698-00-7) is a chemical compound with molecular formula C14H9N5 and molecular weight 247.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(4-cyanoanilino)diazenyl]benzonitrile
Also Known As: 2-[(4-cyanoanilino)diazenyl]benzonitrile, 2-[(1e)-3-(4-cyanophenyl)triaz-1-en-1-yl]benzonitrile, 1,2,3-Benzotriazin-4-amine,N-(4-methylphenyl)
| Molecular Formula | C14H9N5 |
|---|---|
| Molecular Weight | 247.09 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 84.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 247.0858 |
| Heavy Atoms | 19 |
| Complexity | 404.0 |
Chemical Identifiers
| CAS Number | 52698-00-7 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C#N)N=NNC2=CC=C(C=C2)C#N |
| InChIKey | ASOIOLWNIJYKKE-UHFFFAOYSA-N |
Product Overview
2-[(1e)-3-(4-Cyanophenyl)triaz-1-en-1-yl]benzonitrile (CAS 52698-00-7), with molecular formula C14H9N5 and molecular weight 247.09 g/mol. IUPAC: 2-[(4-cyanoanilino)diazenyl]benzonitrile.
Chemical Property Profile of 2-[(1e)-3-(4-Cyanophenyl)triaz-1-en-1-yl]benzonitrile
Property Insights of 2-[(1e)-3-(4-Cyanophenyl)triaz-1-en-1-yl]benzonitrile
The XLogP value of 3.5 indicates that 2-[(1e)-3-(4-Cyanophenyl)triaz-1-en-1-yl]benzonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 84.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[(1e)-3-(4-Cyanophenyl)triaz-1-en-1-yl]benzonitrile. Following Lipinski's Rule of Five, 2-[(1e)-3-(4-Cyanophenyl)triaz-1-en-1-yl]benzonitrile 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 2-[(1e)-3-(4-Cyanophenyl)triaz-1-en-1-yl]benzonitrile?
The CAS number of 2-[(1e)-3-(4-Cyanophenyl)triaz-1-en-1-yl]benzonitrile is 52698-00-7.
What is the molecular formula of 2-[(1e)-3-(4-Cyanophenyl)triaz-1-en-1-yl]benzonitrile?
The molecular formula of 2-[(1e)-3-(4-Cyanophenyl)triaz-1-en-1-yl]benzonitrile is C14H9N5.
What is the molecular weight of 2-[(1e)-3-(4-Cyanophenyl)triaz-1-en-1-yl]benzonitrile?
The molecular weight of 2-[(1e)-3-(4-Cyanophenyl)triaz-1-en-1-yl]benzonitrile is 247.09 g/mol.
Where can I buy 2-[(1e)-3-(4-Cyanophenyl)triaz-1-en-1-yl]benzonitrile?
You can request a quote for 2-[(1e)-3-(4-Cyanophenyl)triaz-1-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 2-[(1e)-3-(4-Cyanophenyl)triaz-1-en-1-yl]benzonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-[(1e)-3-(4-Cyanophenyl)triaz-1-en-1-yl]benzonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.