![6-[(4-Chlorophenyl)methyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole structure](/static/products/876/876885-47-1.png)
6-[(4-Chlorophenyl)methyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
TL;DR: 6-[(4-Chlorophenyl)methyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole (CAS 876885-47-1) is a chemical compound with molecular formula C10H7ClN4S and molecular weight 250.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-[(4-chlorophenyl)methyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Also Known As: 6-(4-chlorobenzyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole, 6-[(4-chlorophenyl)methyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole, BAS 11413117, BB 0244223, AO-365/43263947
| Molecular Formula | C10H7ClN4S |
|---|---|
| Molecular Weight | 250.01 g/mol |
| LogP | 2.43 |
| Topological Polar Surface Area | 43.08 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 250.008 |
| Heavy Atoms | 16 |
| Complexity | 584.5803 |
Chemical Identifiers
| CAS Number | 876885-47-1 |
|---|---|
| SMILES | C1=CC(=CC=C1CC2=NN3C=NN=C3S2)Cl |
Product Overview
6-[(4-Chlorophenyl)methyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole (CAS 876885-47-1), with molecular formula C10H7ClN4S and molecular weight 250.01 g/mol. IUPAC: 6-[(4-chlorophenyl)methyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole.
Chemical Property Profile of 6-[(4-Chlorophenyl)methyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Property Insights of 6-[(4-Chlorophenyl)methyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
The XLogP value of 2.43 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-[(4-Chlorophenyl)methyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole. With a topological polar surface area (TPSA) of 43.08 Ų, 6-[(4-Chlorophenyl)methyl]-[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-Chlorophenyl)methyl]-[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-Chlorophenyl)methyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
The CAS number of 6-[(4-Chlorophenyl)methyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole is 876885-47-1.
What is the molecular formula of 6-[(4-Chlorophenyl)methyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
The molecular formula of 6-[(4-Chlorophenyl)methyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole is C10H7ClN4S.
What is the molecular weight of 6-[(4-Chlorophenyl)methyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
The molecular weight of 6-[(4-Chlorophenyl)methyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole is 250.01 g/mol.
Where can I buy 6-[(4-Chlorophenyl)methyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
You can request a quote for 6-[(4-Chlorophenyl)methyl]-[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]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
Yes, KEHONG BIO provides custom synthesis services for 6-[(4-Chlorophenyl)methyl]-[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.