![2-([1,2,4]triazolo[3,4-b][1,3]benzothiazol-3-ylsulfanyl)-1-(2,2,4-trimethyl-4-phenyl-3,4-dihydroquinolin-1(2H)-yl)ethanone structure](/static/products/4887/488717-45-9.webp)
2-([1,2,4]triazolo[3,4-b][1,3]benzothiazol-3-ylsulfanyl)-1-(2,2,4-trimethyl-4-phenyl-3,4-dihydroquinolin-1(2H)-yl)ethanone
TL;DR: 2-([1,2,4]triazolo[3,4-b][1,3]benzothiazol-3-ylsulfanyl)-1-(2,2,4-trimethyl-4-phenyl-3,4-dihydroquinolin-1(2H)-yl)ethanone (CAS 488717-45-9) is a chemical compound with molecular formula C28H26N4OS2 and molecular weight 498.15 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-trimethyl-4-phenyl-3H-quinolin-1-yl)ethanone
Also Known As: 2-([1,2,4]triazolo[3,4-b][1,3]benzothiazol-3-ylsulfanyl)-1-(2,2,4-trimethyl-4-phenyl-3,4-dihydroquinolin-1(2H)-yl)ethanone, 2-([1,2,4]triazolo[3,4-b][1,3]benzothiazol-1-ylsulfanyl)-1-(2,2,4-trimethyl-4-phenyl-3H-quinolin-1-yl)ethanone, 2-([1,2,4]triazolo[3,4-b][1,3]benzothiazol-3-ylsulfanyl)-1-[2,2,4-trimethyl-4-phenyl-3,4-dihydro-1(2H)-quinolinyl]-1-ethanone, 2-(4-hydro-1,2,4-triazolo[3,4-b]benzothiazol-3-ylthio)-1-(2,2,4-trimethyl-4-ph enyl(1,2,3,4-tetrahydroquinolyl))ethan-1-one, 2-(benzo[4,5]thiazolo[2,3-c][1,2,4]triazol-3-ylthio)-1-(2,2,4-trimethyl-4-phenyl-3,4-dihydroquinolin-1(2H)-yl)ethanone
| Molecular Formula | C28H26N4OS2 |
|---|---|
| Molecular Weight | 498.15 g/mol |
| LogP | 6.5576 |
| Topological Polar Surface Area | 50.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 498.15482 |
| Heavy Atoms | 35 |
| Complexity | 1555.3533 |
Chemical Identifiers
| CAS Number | 488717-45-9 |
|---|---|
| SMILES | CC1(CC(C2=CC=CC=C2N1C(=O)CSC3=NN=C4N3C5=CC=CC=C5S4)(C)C6=CC=CC=C6)C |
Product Overview
2-([1,2,4]triazolo[3,4-b][1,3]benzothiazol-3-ylsulfanyl)-1-(2,2,4-trimethyl-4-phenyl-3,4-dihydroquinolin-1(2H)-yl)ethanone (CAS 488717-45-9), with molecular formula C28H26N4OS2 and molecular weight 498.15 g/mol. IUPAC: 2-([1,2,4]triazolo[3,4-b][1,3]benzothiazol-1-ylsulfanyl)-1-(2,2,4-trimethyl-4-phenyl-3H-quinolin-1-yl)ethanone.
Chemical Property Profile of 2-([1,2,4]triazolo[3,4-b][1,3]benzothiazol-3-ylsulfanyl)-1-(2,2,4-trimethyl-4-phenyl-3,4-dihydroquinolin-1(2H)-yl)ethanone
Property Insights of 2-([1,2,4]triazolo[3,4-b][1,3]benzothiazol-3-ylsulfanyl)-1-(2,2,4-trimethyl-4-phenyl-3,4-dihydroquinolin-1(2H)-yl)ethanone
The XLogP value of 6.5576 indicates that 2-([1,2,4]triazolo[3,4-b][1,3]benzothiazol-3-ylsulfanyl)-1-(2,2,4-trimethyl-4-phenyl-3,4-dihydroquinolin-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-trimethyl-4-phenyl-3,4-dihydroquinolin-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-trimethyl-4-phenyl-3,4-dihydroquinolin-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-trimethyl-4-phenyl-3,4-dihydroquinolin-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-trimethyl-4-phenyl-3,4-dihydroquinolin-1(2H)-yl)ethanone is 488717-45-9.
What is the molecular formula of 2-([1,2,4]triazolo[3,4-b][1,3]benzothiazol-3-ylsulfanyl)-1-(2,2,4-trimethyl-4-phenyl-3,4-dihydroquinolin-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-trimethyl-4-phenyl-3,4-dihydroquinolin-1(2H)-yl)ethanone is C28H26N4OS2.
What is the molecular weight of 2-([1,2,4]triazolo[3,4-b][1,3]benzothiazol-3-ylsulfanyl)-1-(2,2,4-trimethyl-4-phenyl-3,4-dihydroquinolin-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-trimethyl-4-phenyl-3,4-dihydroquinolin-1(2H)-yl)ethanone is 498.15 g/mol.
Where can I buy 2-([1,2,4]triazolo[3,4-b][1,3]benzothiazol-3-ylsulfanyl)-1-(2,2,4-trimethyl-4-phenyl-3,4-dihydroquinolin-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-trimethyl-4-phenyl-3,4-dihydroquinolin-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-trimethyl-4-phenyl-3,4-dihydroquinolin-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-trimethyl-4-phenyl-3,4-dihydroquinolin-1(2H)-yl)ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.