![6-(4-Chlorobenzyl)-3-(propan-2-yl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole structure](/static/products/876/876885-53-9.png)
6-(4-Chlorobenzyl)-3-(propan-2-yl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
TL;DR: 6-(4-Chlorobenzyl)-3-(propan-2-yl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole (CAS 876885-53-9) is a chemical compound with molecular formula C13H13ClN4S and molecular weight 292.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-[(4-chlorophenyl)methyl]-3-propan-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Also Known As: BAS 11413120, 6-(4-chlorobenzyl)-3-(propan-2-yl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole, 6-[(4-chlorophenyl)methyl]-3-propan-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole, 6-(4-Chloro-benzyl)-3-isopropyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole, 6-(4-chlorobenzyl)-3-isopropyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
| Molecular Formula | C13H13ClN4S |
|---|---|
| Molecular Weight | 292.05 g/mol |
| LogP | 3.5534 |
| Topological Polar Surface Area | 43.08 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 292.05493 |
| Heavy Atoms | 19 |
| Complexity | 699.0829 |
Chemical Identifiers
| CAS Number | 876885-53-9 |
|---|---|
| SMILES | CC(C)C1=NN=C2N1N=C(S2)CC3=CC=C(C=C3)Cl |
Product Overview
6-(4-Chlorobenzyl)-3-(propan-2-yl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole (CAS 876885-53-9), with molecular formula C13H13ClN4S and molecular weight 292.05 g/mol. IUPAC: 6-[(4-chlorophenyl)methyl]-3-propan-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole.
Chemical Property Profile of 6-(4-Chlorobenzyl)-3-(propan-2-yl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Property Insights of 6-(4-Chlorobenzyl)-3-(propan-2-yl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
The XLogP value of 3.5534 indicates that 6-(4-Chlorobenzyl)-3-(propan-2-yl)[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-(4-Chlorobenzyl)-3-(propan-2-yl)[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-(4-Chlorobenzyl)-3-(propan-2-yl)[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-(4-Chlorobenzyl)-3-(propan-2-yl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
The CAS number of 6-(4-Chlorobenzyl)-3-(propan-2-yl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole is 876885-53-9.
What is the molecular formula of 6-(4-Chlorobenzyl)-3-(propan-2-yl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
The molecular formula of 6-(4-Chlorobenzyl)-3-(propan-2-yl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole is C13H13ClN4S.
What is the molecular weight of 6-(4-Chlorobenzyl)-3-(propan-2-yl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
The molecular weight of 6-(4-Chlorobenzyl)-3-(propan-2-yl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole is 292.05 g/mol.
Where can I buy 6-(4-Chlorobenzyl)-3-(propan-2-yl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
You can request a quote for 6-(4-Chlorobenzyl)-3-(propan-2-yl)[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-(4-Chlorobenzyl)-3-(propan-2-yl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
Yes, KEHONG BIO provides custom synthesis services for 6-(4-Chlorobenzyl)-3-(propan-2-yl)[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.