![6-(3,4-Dimethoxybenzyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole structure](/static/products/876/876889-63-3.png)
6-(3,4-Dimethoxybenzyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
TL;DR: 6-(3,4-Dimethoxybenzyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole (CAS 876889-63-3) is a chemical compound with molecular formula C12H12N4O2S and molecular weight 276.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-[(3,4-dimethoxyphenyl)methyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Also Known As: BAS 11413369, AO-365/43263862, 6-(3,4-dimethoxybenzyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole, 6-[(3,4-dimethoxyphenyl)methyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole, 6-(3,4-Dimethoxy-benzyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
| Molecular Formula | C12H12N4O2S |
|---|---|
| Molecular Weight | 276.07 g/mol |
| LogP | 1.7938 |
| Topological Polar Surface Area | 61.54 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 276.06808 |
| Heavy Atoms | 19 |
| Complexity | 678.1428 |
Chemical Identifiers
| CAS Number | 876889-63-3 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)CC2=NN3C=NN=C3S2)OC |
Product Overview
6-(3,4-Dimethoxybenzyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole (CAS 876889-63-3), with molecular formula C12H12N4O2S and molecular weight 276.07 g/mol. IUPAC: 6-[(3,4-dimethoxyphenyl)methyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole.
Chemical Property Profile of 6-(3,4-Dimethoxybenzyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Property Insights of 6-(3,4-Dimethoxybenzyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
The XLogP value of 1.7938 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-(3,4-Dimethoxybenzyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole. The TPSA of 61.54 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-(3,4-Dimethoxybenzyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole. Following Lipinski's Rule of Five, 6-(3,4-Dimethoxybenzyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole has 0 hydrogen bond donor(s) and 6 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 6-(3,4-Dimethoxybenzyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
The CAS number of 6-(3,4-Dimethoxybenzyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole is 876889-63-3.
What is the molecular formula of 6-(3,4-Dimethoxybenzyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
The molecular formula of 6-(3,4-Dimethoxybenzyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole is C12H12N4O2S.
What is the molecular weight of 6-(3,4-Dimethoxybenzyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
The molecular weight of 6-(3,4-Dimethoxybenzyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole is 276.07 g/mol.
Where can I buy 6-(3,4-Dimethoxybenzyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
You can request a quote for 6-(3,4-Dimethoxybenzyl)[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 6-(3,4-Dimethoxybenzyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
Yes, KEHONG BIO provides custom synthesis services for 6-(3,4-Dimethoxybenzyl)[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.