![3-Benzyl-6-(5-bromofuran-2-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole structure](/static/products/537/537016-79-8.png)
3-Benzyl-6-(5-bromofuran-2-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
TL;DR: 3-Benzyl-6-(5-bromofuran-2-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole (CAS 537016-79-8) is a chemical compound with molecular formula C14H9BrN4OS and molecular weight 359.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-benzyl-6-(5-bromofuran-2-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Also Known As: IFLab1_005135, 3-benzyl-6-(5-bromofuran-2-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole, 3-benzyl-6-(5-bromofuran-2-yl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole, 6-(5-bromo(2-furyl))-3-benzyl-1,2,4-triazolo[3,4-b]1,3,4-thiadiazoline, 8-benzyl-3-(5-bromo-2-furyl)-4-thia-1,2,6,7-tetraazabicyclo[3.3.0]octa-2,5,7-triene
| Molecular Formula | C14H9BrN4OS |
|---|---|
| Molecular Weight | 359.97 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 84.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 359.96805 |
| Heavy Atoms | 21 |
| Complexity | 371.0 |
Chemical Identifiers
| CAS Number | 537016-79-8 |
|---|---|
| SMILES | C1=CC=C(C=C1)CC2=NN=C3N2N=C(S3)C4=CC=C(O4)Br |
| InChIKey | BAWLKRCMZMSACW-UHFFFAOYSA-N |
Product Overview
3-Benzyl-6-(5-bromofuran-2-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole (CAS 537016-79-8), with molecular formula C14H9BrN4OS and molecular weight 359.97 g/mol. IUPAC: 3-benzyl-6-(5-bromofuran-2-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole.
Chemical Property Profile of 3-Benzyl-6-(5-bromofuran-2-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Property Insights of 3-Benzyl-6-(5-bromofuran-2-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
The XLogP value of 4.0 indicates that 3-Benzyl-6-(5-bromofuran-2-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 84.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Benzyl-6-(5-bromofuran-2-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole. Following Lipinski's Rule of Five, 3-Benzyl-6-(5-bromofuran-2-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole 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 3-Benzyl-6-(5-bromofuran-2-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
The CAS number of 3-Benzyl-6-(5-bromofuran-2-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole is 537016-79-8.
What is the molecular formula of 3-Benzyl-6-(5-bromofuran-2-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
The molecular formula of 3-Benzyl-6-(5-bromofuran-2-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole is C14H9BrN4OS.
What is the molecular weight of 3-Benzyl-6-(5-bromofuran-2-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
The molecular weight of 3-Benzyl-6-(5-bromofuran-2-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole is 359.97 g/mol.
Where can I buy 3-Benzyl-6-(5-bromofuran-2-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
You can request a quote for 3-Benzyl-6-(5-bromofuran-2-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Benzyl-6-(5-bromofuran-2-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
Yes, KEHONG BIO provides custom synthesis services for 3-Benzyl-6-(5-bromofuran-2-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.