![1-{[6-(2,4-dichlorophenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl]methyl}-1H-benzotriazole structure](/static/products/896/896859-54-4.png)
1-{[6-(2,4-dichlorophenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl]methyl}-1H-benzotriazole
TL;DR: 1-{[6-(2,4-dichlorophenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl]methyl}-1H-benzotriazole (CAS 896859-54-4) is a chemical compound with molecular formula C16H9Cl2N7S and molecular weight 401.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(benzotriazol-1-ylmethyl)-6-(2,4-dichlorophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Also Known As: 1-{[6-(2,4-dichlorophenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl]methyl}-1H-benzotriazole, 3-((1H-benzo[d][1,2,3]triazol-1-yl)methyl)-6-(2,4-dichlorophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole, 3-(benzotriazol-1-ylmethyl)-6-(2,4-dichlorophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
| Molecular Formula | C16H9Cl2N7S |
|---|---|
| Molecular Weight | 401.00 g/mol |
| LogP | 3.9526 |
| Topological Polar Surface Area | 73.79 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 401.0017 |
| Heavy Atoms | 26 |
| Complexity | 1256.192 |
Chemical Identifiers
| CAS Number | 896859-54-4 |
|---|---|
| SMILES | C1=CC=C2C(=C1)N=NN2CC3=NN=C4N3N=C(S4)C5=C(C=C(C=C5)Cl)Cl |
Product Overview
1-{[6-(2,4-dichlorophenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl]methyl}-1H-benzotriazole (CAS 896859-54-4), with molecular formula C16H9Cl2N7S and molecular weight 401.00 g/mol. IUPAC: 3-(benzotriazol-1-ylmethyl)-6-(2,4-dichlorophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole.
Chemical Property Profile of 1-{[6-(2,4-dichlorophenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl]methyl}-1H-benzotriazole
Property Insights of 1-{[6-(2,4-dichlorophenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl]methyl}-1H-benzotriazole
The XLogP value of 3.9526 indicates that 1-{[6-(2,4-dichlorophenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl]methyl}-1H-benzotriazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 73.79 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-{[6-(2,4-dichlorophenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl]methyl}-1H-benzotriazole. Following Lipinski's Rule of Five, 1-{[6-(2,4-dichlorophenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl]methyl}-1H-benzotriazole 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 1-{[6-(2,4-dichlorophenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl]methyl}-1H-benzotriazole?
The CAS number of 1-{[6-(2,4-dichlorophenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl]methyl}-1H-benzotriazole is 896859-54-4.
What is the molecular formula of 1-{[6-(2,4-dichlorophenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl]methyl}-1H-benzotriazole?
The molecular formula of 1-{[6-(2,4-dichlorophenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl]methyl}-1H-benzotriazole is C16H9Cl2N7S.
What is the molecular weight of 1-{[6-(2,4-dichlorophenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl]methyl}-1H-benzotriazole?
The molecular weight of 1-{[6-(2,4-dichlorophenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl]methyl}-1H-benzotriazole is 401.00 g/mol.
Where can I buy 1-{[6-(2,4-dichlorophenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl]methyl}-1H-benzotriazole?
You can request a quote for 1-{[6-(2,4-dichlorophenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl]methyl}-1H-benzotriazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-{[6-(2,4-dichlorophenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl]methyl}-1H-benzotriazole?
Yes, KEHONG BIO provides custom synthesis services for 1-{[6-(2,4-dichlorophenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl]methyl}-1H-benzotriazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.