![4-(3-Phenyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)benzonitrile structure](/static/products/847/847758-82-1.png)
4-(3-Phenyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)benzonitrile
TL;DR: 4-(3-Phenyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)benzonitrile (CAS 847758-82-1) is a chemical compound with molecular formula C16H9N5S and molecular weight 303.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(3-phenyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)benzonitrile
Also Known As: 4-(3-phenyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)benzonitrile, F3375-1466, 4-{3-PHENYL-[1,2,4]TRIAZOLO[3,4-B][1,3,4]THIADIAZOL-6-YL}BENZONITRILE, 4-(3-phenyl[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)benzonitrile, 4-(3-phenyl-1,2,4-triazolo[3,4-b]1,3,4-thiadiazolin-6-yl)benzenecarbonitrile
| Molecular Formula | C16H9N5S |
|---|---|
| Molecular Weight | 303.06 g/mol |
| LogP | 3.39148 |
| Topological Polar Surface Area | 66.87 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 303.05786 |
| Heavy Atoms | 22 |
| Complexity | 976.9835 |
Chemical Identifiers
| CAS Number | 847758-82-1 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2=NN=C3N2N=C(S3)C4=CC=C(C=C4)C#N |
Product Overview
4-(3-Phenyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)benzonitrile (CAS 847758-82-1), with molecular formula C16H9N5S and molecular weight 303.06 g/mol. IUPAC: 4-(3-phenyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)benzonitrile.
Chemical Property Profile of 4-(3-Phenyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)benzonitrile
Property Insights of 4-(3-Phenyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)benzonitrile
The XLogP value of 3.39148 indicates that 4-(3-Phenyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)benzonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.87 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(3-Phenyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)benzonitrile. Following Lipinski's Rule of Five, 4-(3-Phenyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)benzonitrile has 0 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 4-(3-Phenyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)benzonitrile?
The CAS number of 4-(3-Phenyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)benzonitrile is 847758-82-1.
What is the molecular formula of 4-(3-Phenyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)benzonitrile?
The molecular formula of 4-(3-Phenyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)benzonitrile is C16H9N5S.
What is the molecular weight of 4-(3-Phenyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)benzonitrile?
The molecular weight of 4-(3-Phenyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)benzonitrile is 303.06 g/mol.
Where can I buy 4-(3-Phenyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)benzonitrile?
You can request a quote for 4-(3-Phenyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-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-(3-Phenyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)benzonitrile?
Yes, KEHONG BIO provides custom synthesis services for 4-(3-Phenyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)benzonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.