![1-(3,4-dihydroisoquinolin-2(1H)-yl)-2-(9H-[1,2,4]triazolo[4,3-a]benzimidazol-3-ylsulfanyl)ethanone structure](/static/products/5610/561007-74-7.webp)
1-(3,4-dihydroisoquinolin-2(1H)-yl)-2-(9H-[1,2,4]triazolo[4,3-a]benzimidazol-3-ylsulfanyl)ethanone
TL;DR: 1-(3,4-dihydroisoquinolin-2(1H)-yl)-2-(9H-[1,2,4]triazolo[4,3-a]benzimidazol-3-ylsulfanyl)ethanone (CAS 561007-74-7) is a chemical compound with molecular formula C19H17N5OS and molecular weight 363.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(3H-[1,2,4]triazolo[4,3-a]benzimidazol-1-ylsulfanyl)ethanone
Also Known As: 1-(3,4-dihydroisoquinolin-2(1H)-yl)-2-(9H-[1,2,4]triazolo[4,3-a]benzimidazol-3-ylsulfanyl)ethanone, 2-((9H-benzo[4,5]imidazo[2,1-c][1,2,4]triazol-3-yl)thio)-1-(3,4-dihydroisoquinolin-2(1H)-yl)ethanone, 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(3H-[1,2,4]triazolo[4,3-a]benzimidazol-1-ylsulfanyl)ethanone, 1-[3,4-DIHYDRO-2(1H)-ISOQUINOLINYL]-2-(9H-[1,2,4]TRIAZOLO[4,3-A][1,3]BENZIMIDAZOL-3-YLSULFANYL)-1-ETHANONE, 2-(9-hydro-1,2,4-triazolo[4,5-a]benzimidazol-3-ylthio)-1-(2-1,2,3,4-tetrahydro isoquinolyl)ethan-1-one
| Molecular Formula | C19H17N5OS |
|---|---|
| Molecular Weight | 363.12 g/mol |
| LogP | 2.8876 |
| Topological Polar Surface Area | 66.29 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 363.1154 |
| Heavy Atoms | 26 |
| Complexity | 1115.4792 |
Chemical Identifiers
| CAS Number | 561007-74-7 |
|---|---|
| SMILES | C1CN(CC2=CC=CC=C21)C(=O)CSC3=NNC4=NC5=CC=CC=C5N43 |
Product Overview
1-(3,4-dihydroisoquinolin-2(1H)-yl)-2-(9H-[1,2,4]triazolo[4,3-a]benzimidazol-3-ylsulfanyl)ethanone (CAS 561007-74-7), with molecular formula C19H17N5OS and molecular weight 363.12 g/mol. IUPAC: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(3H-[1,2,4]triazolo[4,3-a]benzimidazol-1-ylsulfanyl)ethanone.
Chemical Property Profile of 1-(3,4-dihydroisoquinolin-2(1H)-yl)-2-(9H-[1,2,4]triazolo[4,3-a]benzimidazol-3-ylsulfanyl)ethanone
Property Insights of 1-(3,4-dihydroisoquinolin-2(1H)-yl)-2-(9H-[1,2,4]triazolo[4,3-a]benzimidazol-3-ylsulfanyl)ethanone
The XLogP value of 2.8876 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(3,4-dihydroisoquinolin-2(1H)-yl)-2-(9H-[1,2,4]triazolo[4,3-a]benzimidazol-3-ylsulfanyl)ethanone. The TPSA of 66.29 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(3,4-dihydroisoquinolin-2(1H)-yl)-2-(9H-[1,2,4]triazolo[4,3-a]benzimidazol-3-ylsulfanyl)ethanone. Following Lipinski's Rule of Five, 1-(3,4-dihydroisoquinolin-2(1H)-yl)-2-(9H-[1,2,4]triazolo[4,3-a]benzimidazol-3-ylsulfanyl)ethanone has 1 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 1-(3,4-dihydroisoquinolin-2(1H)-yl)-2-(9H-[1,2,4]triazolo[4,3-a]benzimidazol-3-ylsulfanyl)ethanone?
The CAS number of 1-(3,4-dihydroisoquinolin-2(1H)-yl)-2-(9H-[1,2,4]triazolo[4,3-a]benzimidazol-3-ylsulfanyl)ethanone is 561007-74-7.
What is the molecular formula of 1-(3,4-dihydroisoquinolin-2(1H)-yl)-2-(9H-[1,2,4]triazolo[4,3-a]benzimidazol-3-ylsulfanyl)ethanone?
The molecular formula of 1-(3,4-dihydroisoquinolin-2(1H)-yl)-2-(9H-[1,2,4]triazolo[4,3-a]benzimidazol-3-ylsulfanyl)ethanone is C19H17N5OS.
What is the molecular weight of 1-(3,4-dihydroisoquinolin-2(1H)-yl)-2-(9H-[1,2,4]triazolo[4,3-a]benzimidazol-3-ylsulfanyl)ethanone?
The molecular weight of 1-(3,4-dihydroisoquinolin-2(1H)-yl)-2-(9H-[1,2,4]triazolo[4,3-a]benzimidazol-3-ylsulfanyl)ethanone is 363.12 g/mol.
Where can I buy 1-(3,4-dihydroisoquinolin-2(1H)-yl)-2-(9H-[1,2,4]triazolo[4,3-a]benzimidazol-3-ylsulfanyl)ethanone?
You can request a quote for 1-(3,4-dihydroisoquinolin-2(1H)-yl)-2-(9H-[1,2,4]triazolo[4,3-a]benzimidazol-3-ylsulfanyl)ethanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(3,4-dihydroisoquinolin-2(1H)-yl)-2-(9H-[1,2,4]triazolo[4,3-a]benzimidazol-3-ylsulfanyl)ethanone?
Yes, KEHONG BIO provides custom synthesis services for 1-(3,4-dihydroisoquinolin-2(1H)-yl)-2-(9H-[1,2,4]triazolo[4,3-a]benzimidazol-3-ylsulfanyl)ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.