![6-[(4-chlorophenyl)methyl]-3-(3,4,5-trimethoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole structure](/static/products/896/896077-73-9.png)
6-[(4-chlorophenyl)methyl]-3-(3,4,5-trimethoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
TL;DR: 6-[(4-chlorophenyl)methyl]-3-(3,4,5-trimethoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole (CAS 896077-73-9) is a chemical compound with molecular formula C19H17ClN4O3S and molecular weight 416.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-[(4-chlorophenyl)methyl]-3-(3,4,5-trimethoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Also Known As: 6-[(4-chlorophenyl)methyl]-3-(3,4,5-trimethoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole, 6-(4-chlorobenzyl)-3-(3,4,5-trimethoxyphenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole, AO-365/43113501, 6-(4-chlorobenzyl)-3-(3,4,5-trimethoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
| Molecular Formula | C19H17ClN4O3S |
|---|---|
| Molecular Weight | 416.07 g/mol |
| LogP | 4.4 |
| Topological Polar Surface Area | 99.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 416.07098 |
| Heavy Atoms | 28 |
| Complexity | 500.0 |
Chemical Identifiers
| CAS Number | 896077-73-9 |
|---|---|
| SMILES | COC1=CC(=CC(=C1OC)OC)C2=NN=C3N2N=C(S3)CC4=CC=C(C=C4)Cl |
| InChIKey | KKFDTBKCMFUTGY-UHFFFAOYSA-N |
Product Overview
6-[(4-chlorophenyl)methyl]-3-(3,4,5-trimethoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole (CAS 896077-73-9), with molecular formula C19H17ClN4O3S and molecular weight 416.07 g/mol. IUPAC: 6-[(4-chlorophenyl)methyl]-3-(3,4,5-trimethoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole.
Chemical Property Profile of 6-[(4-chlorophenyl)methyl]-3-(3,4,5-trimethoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Property Insights of 6-[(4-chlorophenyl)methyl]-3-(3,4,5-trimethoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
The XLogP value of 4.4 indicates that 6-[(4-chlorophenyl)methyl]-3-(3,4,5-trimethoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 99.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-[(4-chlorophenyl)methyl]-3-(3,4,5-trimethoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole. Following Lipinski's Rule of Five, 6-[(4-chlorophenyl)methyl]-3-(3,4,5-trimethoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole has 0 hydrogen bond donor(s) and 7 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-chlorophenyl)methyl]-3-(3,4,5-trimethoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
The CAS number of 6-[(4-chlorophenyl)methyl]-3-(3,4,5-trimethoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole is 896077-73-9.
What is the molecular formula of 6-[(4-chlorophenyl)methyl]-3-(3,4,5-trimethoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
The molecular formula of 6-[(4-chlorophenyl)methyl]-3-(3,4,5-trimethoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole is C19H17ClN4O3S.
What is the molecular weight of 6-[(4-chlorophenyl)methyl]-3-(3,4,5-trimethoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
The molecular weight of 6-[(4-chlorophenyl)methyl]-3-(3,4,5-trimethoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole is 416.07 g/mol.
Where can I buy 6-[(4-chlorophenyl)methyl]-3-(3,4,5-trimethoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
You can request a quote for 6-[(4-chlorophenyl)methyl]-3-(3,4,5-trimethoxyphenyl)-[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-chlorophenyl)methyl]-3-(3,4,5-trimethoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
Yes, KEHONG BIO provides custom synthesis services for 6-[(4-chlorophenyl)methyl]-3-(3,4,5-trimethoxyphenyl)-[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.