![3-(benzotriazol-1-ylmethyl)-6-(3,4-dimethoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole structure](/static/products/7918/791805-90-8.webp)
3-(benzotriazol-1-ylmethyl)-6-(3,4-dimethoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
TL;DR: 3-(benzotriazol-1-ylmethyl)-6-(3,4-dimethoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole (CAS 791805-90-8) is a chemical compound with molecular formula C18H15N7O2S and molecular weight 393.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(benzotriazol-1-ylmethyl)-6-(3,4-dimethoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Also Known As: 3-(benzotriazol-1-ylmethyl)-6-(3,4-dimethoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole, AO-365/43113305, 1-{[6-(3,4-dimethoxyphenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl]methyl}-1H-benzotriazole, 1-{[6-(3,4-dimethoxyphenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl]methyl}-1H-1,2,3-benzotriazole, 1-{[6-(3,4-DIMETHOXYPHENYL)-[1,2,4]TRIAZOLO[3,4-B][1,3,4]THIADIAZOL-3-YL]METHYL}-1H-1,2,3-BENZOTRIAZOLE
| Molecular Formula | C18H15N7O2S |
|---|---|
| Molecular Weight | 393.10 g/mol |
| LogP | 2.663 |
| Topological Polar Surface Area | 92.25 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 393.1008 |
| Heavy Atoms | 28 |
| Complexity | 1289.8232 |
Chemical Identifiers
| CAS Number | 791805-90-8 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)C2=NN3C(=NN=C3S2)CN4C5=CC=CC=C5N=N4)OC |
Product Overview
3-(benzotriazol-1-ylmethyl)-6-(3,4-dimethoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole (CAS 791805-90-8), with molecular formula C18H15N7O2S and molecular weight 393.10 g/mol. IUPAC: 3-(benzotriazol-1-ylmethyl)-6-(3,4-dimethoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole.
Chemical Property Profile of 3-(benzotriazol-1-ylmethyl)-6-(3,4-dimethoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Property Insights of 3-(benzotriazol-1-ylmethyl)-6-(3,4-dimethoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
The XLogP value of 2.663 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(benzotriazol-1-ylmethyl)-6-(3,4-dimethoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole. The TPSA of 92.25 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(benzotriazol-1-ylmethyl)-6-(3,4-dimethoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole. Following Lipinski's Rule of Five, 3-(benzotriazol-1-ylmethyl)-6-(3,4-dimethoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole has 0 hydrogen bond donor(s) and 8 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-(benzotriazol-1-ylmethyl)-6-(3,4-dimethoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
The CAS number of 3-(benzotriazol-1-ylmethyl)-6-(3,4-dimethoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole is 791805-90-8.
What is the molecular formula of 3-(benzotriazol-1-ylmethyl)-6-(3,4-dimethoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
The molecular formula of 3-(benzotriazol-1-ylmethyl)-6-(3,4-dimethoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole is C18H15N7O2S.
What is the molecular weight of 3-(benzotriazol-1-ylmethyl)-6-(3,4-dimethoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
The molecular weight of 3-(benzotriazol-1-ylmethyl)-6-(3,4-dimethoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole is 393.10 g/mol.
Where can I buy 3-(benzotriazol-1-ylmethyl)-6-(3,4-dimethoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
You can request a quote for 3-(benzotriazol-1-ylmethyl)-6-(3,4-dimethoxyphenyl)-[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-(benzotriazol-1-ylmethyl)-6-(3,4-dimethoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
Yes, KEHONG BIO provides custom synthesis services for 3-(benzotriazol-1-ylmethyl)-6-(3,4-dimethoxyphenyl)-[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.