![2-([1,2,4]triazolo[3,4-b][1,3]benzothiazol-3-ylsulfanyl)-1-(2,2,4-trimethylquinolin-1(2H)-yl)ethanone structure](/static/products/4881/488118-86-1.webp)
2-([1,2,4]triazolo[3,4-b][1,3]benzothiazol-3-ylsulfanyl)-1-(2,2,4-trimethylquinolin-1(2H)-yl)ethanone
TL;DR: 2-([1,2,4]triazolo[3,4-b][1,3]benzothiazol-3-ylsulfanyl)-1-(2,2,4-trimethylquinolin-1(2H)-yl)ethanone (CAS 488118-86-1) is a chemical compound with molecular formula C22H20N4OS2 and molecular weight 420.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-([1,2,4]triazolo[3,4-b][1,3]benzothiazol-1-ylsulfanyl)-1-(2,2,4-trimethylquinolin-1-yl)ethanone
Also Known As: 2-([1,2,4]triazolo[3,4-b][1,3]benzothiazol-3-ylsulfanyl)-1-(2,2,4-trimethylquinolin-1(2H)-yl)ethanone, 2-([1,2,4]triazolo[3,4-b][1,3]benzothiazol-1-ylsulfanyl)-1-(2,2,4-trimethylquinolin-1-yl)ethanone, 2-(benzo[4,5]thiazolo[2,3-c][1,2,4]triazol-3-ylthio)-1-(2,2,4-trimethylquinolin-1(2H)-yl)ethanone
| Molecular Formula | C22H20N4OS2 |
|---|---|
| Molecular Weight | 420.11 g/mol |
| LogP | 5.2648 |
| Topological Polar Surface Area | 50.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 420.10785 |
| Heavy Atoms | 29 |
| Complexity | 1284.4526 |
Chemical Identifiers
| CAS Number | 488118-86-1 |
|---|---|
| SMILES | CC1=CC(N(C2=CC=CC=C12)C(=O)CSC3=NN=C4N3C5=CC=CC=C5S4)(C)C |
Product Overview
2-([1,2,4]triazolo[3,4-b][1,3]benzothiazol-3-ylsulfanyl)-1-(2,2,4-trimethylquinolin-1(2H)-yl)ethanone (CAS 488118-86-1), with molecular formula C22H20N4OS2 and molecular weight 420.11 g/mol. IUPAC: 2-([1,2,4]triazolo[3,4-b][1,3]benzothiazol-1-ylsulfanyl)-1-(2,2,4-trimethylquinolin-1-yl)ethanone.
Chemical Property Profile of 2-([1,2,4]triazolo[3,4-b][1,3]benzothiazol-3-ylsulfanyl)-1-(2,2,4-trimethylquinolin-1(2H)-yl)ethanone
Property Insights of 2-([1,2,4]triazolo[3,4-b][1,3]benzothiazol-3-ylsulfanyl)-1-(2,2,4-trimethylquinolin-1(2H)-yl)ethanone
The XLogP value of 5.2648 indicates that 2-([1,2,4]triazolo[3,4-b][1,3]benzothiazol-3-ylsulfanyl)-1-(2,2,4-trimethylquinolin-1(2H)-yl)ethanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 50.5 Ų, 2-([1,2,4]triazolo[3,4-b][1,3]benzothiazol-3-ylsulfanyl)-1-(2,2,4-trimethylquinolin-1(2H)-yl)ethanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-([1,2,4]triazolo[3,4-b][1,3]benzothiazol-3-ylsulfanyl)-1-(2,2,4-trimethylquinolin-1(2H)-yl)ethanone has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-([1,2,4]triazolo[3,4-b][1,3]benzothiazol-3-ylsulfanyl)-1-(2,2,4-trimethylquinolin-1(2H)-yl)ethanone?
The CAS number of 2-([1,2,4]triazolo[3,4-b][1,3]benzothiazol-3-ylsulfanyl)-1-(2,2,4-trimethylquinolin-1(2H)-yl)ethanone is 488118-86-1.
What is the molecular formula of 2-([1,2,4]triazolo[3,4-b][1,3]benzothiazol-3-ylsulfanyl)-1-(2,2,4-trimethylquinolin-1(2H)-yl)ethanone?
The molecular formula of 2-([1,2,4]triazolo[3,4-b][1,3]benzothiazol-3-ylsulfanyl)-1-(2,2,4-trimethylquinolin-1(2H)-yl)ethanone is C22H20N4OS2.
What is the molecular weight of 2-([1,2,4]triazolo[3,4-b][1,3]benzothiazol-3-ylsulfanyl)-1-(2,2,4-trimethylquinolin-1(2H)-yl)ethanone?
The molecular weight of 2-([1,2,4]triazolo[3,4-b][1,3]benzothiazol-3-ylsulfanyl)-1-(2,2,4-trimethylquinolin-1(2H)-yl)ethanone is 420.11 g/mol.
Where can I buy 2-([1,2,4]triazolo[3,4-b][1,3]benzothiazol-3-ylsulfanyl)-1-(2,2,4-trimethylquinolin-1(2H)-yl)ethanone?
You can request a quote for 2-([1,2,4]triazolo[3,4-b][1,3]benzothiazol-3-ylsulfanyl)-1-(2,2,4-trimethylquinolin-1(2H)-yl)ethanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-([1,2,4]triazolo[3,4-b][1,3]benzothiazol-3-ylsulfanyl)-1-(2,2,4-trimethylquinolin-1(2H)-yl)ethanone?
Yes, KEHONG BIO provides custom synthesis services for 2-([1,2,4]triazolo[3,4-b][1,3]benzothiazol-3-ylsulfanyl)-1-(2,2,4-trimethylquinolin-1(2H)-yl)ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.