![6-Phenethyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole structure](/static/products/876/876888-73-2.png)
6-Phenethyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
TL;DR: 6-Phenethyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole (CAS 876888-73-2) is a chemical compound with molecular formula C11H10N4S and molecular weight 230.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-(2-phenylethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Also Known As: BAS 11413297, 6-Phenethyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole, 6-(2-phenylethyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole, 6-(2-phenylethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
| Molecular Formula | C11H10N4S |
|---|---|
| Molecular Weight | 230.06 g/mol |
| LogP | 1.971 |
| Topological Polar Surface Area | 43.08 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 230.06262 |
| Heavy Atoms | 16 |
| Complexity | 555.59174 |
Chemical Identifiers
| CAS Number | 876888-73-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)CCC2=NN3C=NN=C3S2 |
Product Overview
6-Phenethyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole (CAS 876888-73-2), with molecular formula C11H10N4S and molecular weight 230.06 g/mol. IUPAC: 6-(2-phenylethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole.
Chemical Property Profile of 6-Phenethyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Property Insights of 6-Phenethyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
The XLogP value of 1.971 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-Phenethyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole. With a topological polar surface area (TPSA) of 43.08 Ų, 6-Phenethyl-[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-Phenethyl-[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-Phenethyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
The CAS number of 6-Phenethyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole is 876888-73-2.
What is the molecular formula of 6-Phenethyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
The molecular formula of 6-Phenethyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole is C11H10N4S.
What is the molecular weight of 6-Phenethyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
The molecular weight of 6-Phenethyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole is 230.06 g/mol.
Where can I buy 6-Phenethyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
You can request a quote for 6-Phenethyl-[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-Phenethyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
Yes, KEHONG BIO provides custom synthesis services for 6-Phenethyl-[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.