![6-(3-Chlorobenzyl)-3-(2-methylbenzyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole structure](/static/products/794/794548-83-7.png)
6-(3-Chlorobenzyl)-3-(2-methylbenzyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
TL;DR: 6-(3-Chlorobenzyl)-3-(2-methylbenzyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole (CAS 794548-83-7) is a chemical compound with molecular formula C18H15ClN4S and molecular weight 354.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-[(3-chlorophenyl)methyl]-3-[(2-methylphenyl)methyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Also Known As: 6-(3-chlorobenzyl)-3-(2-methylbenzyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole, AP-501/42239343, 6-[(3-chlorophenyl)methyl]-3-[(2-methylphenyl)methyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
| Molecular Formula | C18H15ClN4S |
|---|---|
| Molecular Weight | 354.07 g/mol |
| LogP | 4.32922 |
| Topological Polar Surface Area | 43.08 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 354.0706 |
| Heavy Atoms | 24 |
| Complexity | 1005.10736 |
Chemical Identifiers
| CAS Number | 794548-83-7 |
|---|---|
| SMILES | CC1=CC=CC=C1CC2=NN=C3N2N=C(S3)CC4=CC(=CC=C4)Cl |
Product Overview
6-(3-Chlorobenzyl)-3-(2-methylbenzyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole (CAS 794548-83-7), with molecular formula C18H15ClN4S and molecular weight 354.07 g/mol. IUPAC: 6-[(3-chlorophenyl)methyl]-3-[(2-methylphenyl)methyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole.
Chemical Property Profile of 6-(3-Chlorobenzyl)-3-(2-methylbenzyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Property Insights of 6-(3-Chlorobenzyl)-3-(2-methylbenzyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
The XLogP value of 4.32922 indicates that 6-(3-Chlorobenzyl)-3-(2-methylbenzyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 43.08 Ų, 6-(3-Chlorobenzyl)-3-(2-methylbenzyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6-(3-Chlorobenzyl)-3-(2-methylbenzyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole has 0 hydrogen bond donor(s) and 4 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-Chlorobenzyl)-3-(2-methylbenzyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
The CAS number of 6-(3-Chlorobenzyl)-3-(2-methylbenzyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole is 794548-83-7.
What is the molecular formula of 6-(3-Chlorobenzyl)-3-(2-methylbenzyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
The molecular formula of 6-(3-Chlorobenzyl)-3-(2-methylbenzyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole is C18H15ClN4S.
What is the molecular weight of 6-(3-Chlorobenzyl)-3-(2-methylbenzyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
The molecular weight of 6-(3-Chlorobenzyl)-3-(2-methylbenzyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole is 354.07 g/mol.
Where can I buy 6-(3-Chlorobenzyl)-3-(2-methylbenzyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
You can request a quote for 6-(3-Chlorobenzyl)-3-(2-methylbenzyl)[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-Chlorobenzyl)-3-(2-methylbenzyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
Yes, KEHONG BIO provides custom synthesis services for 6-(3-Chlorobenzyl)-3-(2-methylbenzyl)[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.