![4-{3-benzyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl}-1-(2-methoxyphenyl)-5-methyl-1H-1,2,3-triazole structure](/static/products/890/890602-74-1.png)
4-{3-benzyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl}-1-(2-methoxyphenyl)-5-methyl-1H-1,2,3-triazole
TL;DR: 4-{3-benzyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl}-1-(2-methoxyphenyl)-5-methyl-1H-1,2,3-triazole (CAS 890602-74-1) is a chemical compound with molecular formula C20H17N7OS and molecular weight 403.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-benzyl-6-[1-(2-methoxyphenyl)-5-methyltriazol-4-yl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Also Known As: 4-{3-benzyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl}-1-(2-methoxyphenyl)-5-methyl-1H-1,2,3-triazole, F3215-0005, 3-benzyl-6-[1-(2-methoxyphenyl)-5-methyl-1H-1,2,3-triazol-4-yl][1,2,4]triazolo[3,4-b][1,3,4]thiadiazole, 3-benzyl-6-[1-(2-methoxyphenyl)-5-methyltriazol-4-yl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole, 3-benzyl-6-(1-(2-methoxyphenyl)-5-methyl-1H-1,2,3-triazol-4-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
| Molecular Formula | C20H17N7OS |
|---|---|
| Molecular Weight | 403.12 g/mol |
| LogP | 3.34132 |
| Topological Polar Surface Area | 83.02 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 403.12152 |
| Heavy Atoms | 29 |
| Complexity | 1288.92 |
Chemical Identifiers
| CAS Number | 890602-74-1 |
|---|---|
| SMILES | CC1=C(N=NN1C2=CC=CC=C2OC)C3=NN4C(=NN=C4S3)CC5=CC=CC=C5 |
Product Overview
4-{3-benzyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl}-1-(2-methoxyphenyl)-5-methyl-1H-1,2,3-triazole (CAS 890602-74-1), with molecular formula C20H17N7OS and molecular weight 403.12 g/mol. IUPAC: 3-benzyl-6-[1-(2-methoxyphenyl)-5-methyltriazol-4-yl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole.
Chemical Property Profile of 4-{3-benzyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl}-1-(2-methoxyphenyl)-5-methyl-1H-1,2,3-triazole
Property Insights of 4-{3-benzyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl}-1-(2-methoxyphenyl)-5-methyl-1H-1,2,3-triazole
The XLogP value of 3.34132 indicates that 4-{3-benzyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl}-1-(2-methoxyphenyl)-5-methyl-1H-1,2,3-triazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 83.02 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-{3-benzyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl}-1-(2-methoxyphenyl)-5-methyl-1H-1,2,3-triazole. Following Lipinski's Rule of Five, 4-{3-benzyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl}-1-(2-methoxyphenyl)-5-methyl-1H-1,2,3-triazole has 0 hydrogen bond donor(s) and 7 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-benzyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl}-1-(2-methoxyphenyl)-5-methyl-1H-1,2,3-triazole?
The CAS number of 4-{3-benzyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl}-1-(2-methoxyphenyl)-5-methyl-1H-1,2,3-triazole is 890602-74-1.
What is the molecular formula of 4-{3-benzyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl}-1-(2-methoxyphenyl)-5-methyl-1H-1,2,3-triazole?
The molecular formula of 4-{3-benzyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl}-1-(2-methoxyphenyl)-5-methyl-1H-1,2,3-triazole is C20H17N7OS.
What is the molecular weight of 4-{3-benzyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl}-1-(2-methoxyphenyl)-5-methyl-1H-1,2,3-triazole?
The molecular weight of 4-{3-benzyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl}-1-(2-methoxyphenyl)-5-methyl-1H-1,2,3-triazole is 403.12 g/mol.
Where can I buy 4-{3-benzyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl}-1-(2-methoxyphenyl)-5-methyl-1H-1,2,3-triazole?
You can request a quote for 4-{3-benzyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl}-1-(2-methoxyphenyl)-5-methyl-1H-1,2,3-triazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-{3-benzyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl}-1-(2-methoxyphenyl)-5-methyl-1H-1,2,3-triazole?
Yes, KEHONG BIO provides custom synthesis services for 4-{3-benzyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl}-1-(2-methoxyphenyl)-5-methyl-1H-1,2,3-triazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.