![1-(3,4-dihydroisoquinolin-2(1H)-yl)-2-{[5-(furan-2-yl)-4-(2-methylpropyl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethanone structure](/static/products/892/892707-53-8.png)
1-(3,4-dihydroisoquinolin-2(1H)-yl)-2-{[5-(furan-2-yl)-4-(2-methylpropyl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethanone
TL;DR: 1-(3,4-dihydroisoquinolin-2(1H)-yl)-2-{[5-(furan-2-yl)-4-(2-methylpropyl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethanone (CAS 892707-53-8) is a chemical compound with molecular formula C21H24N4O2S and molecular weight 396.16 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-[[5-(furan-2-yl)-4-(2-methylpropyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone
Also Known As: 1-(3,4-dihydroisoquinolin-2(1H)-yl)-2-{[5-(furan-2-yl)-4-(2-methylpropyl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethanone, 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[[5-(furan-2-yl)-4-(2-methylpropyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone
| Molecular Formula | C21H24N4O2S |
|---|---|
| Molecular Weight | 396.16 g/mol |
| LogP | 3.8711 |
| Topological Polar Surface Area | 64.16 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 396.162 |
| Heavy Atoms | 28 |
| Complexity | 949.23364 |
Chemical Identifiers
| CAS Number | 892707-53-8 |
|---|---|
| SMILES | CC(C)CN1C(=NN=C1SCC(=O)N2CCC3=CC=CC=C3C2)C4=CC=CO4 |
Product Overview
1-(3,4-dihydroisoquinolin-2(1H)-yl)-2-{[5-(furan-2-yl)-4-(2-methylpropyl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethanone (CAS 892707-53-8), with molecular formula C21H24N4O2S and molecular weight 396.16 g/mol. IUPAC: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[[5-(furan-2-yl)-4-(2-methylpropyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone.
Chemical Property Profile of 1-(3,4-dihydroisoquinolin-2(1H)-yl)-2-{[5-(furan-2-yl)-4-(2-methylpropyl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethanone
Property Insights of 1-(3,4-dihydroisoquinolin-2(1H)-yl)-2-{[5-(furan-2-yl)-4-(2-methylpropyl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethanone
The XLogP value of 3.8711 indicates that 1-(3,4-dihydroisoquinolin-2(1H)-yl)-2-{[5-(furan-2-yl)-4-(2-methylpropyl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 64.16 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(3,4-dihydroisoquinolin-2(1H)-yl)-2-{[5-(furan-2-yl)-4-(2-methylpropyl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethanone. Following Lipinski's Rule of Five, 1-(3,4-dihydroisoquinolin-2(1H)-yl)-2-{[5-(furan-2-yl)-4-(2-methylpropyl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethanone has 0 hydrogen bond donor(s) and 5 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-{[5-(furan-2-yl)-4-(2-methylpropyl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethanone?
The CAS number of 1-(3,4-dihydroisoquinolin-2(1H)-yl)-2-{[5-(furan-2-yl)-4-(2-methylpropyl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethanone is 892707-53-8.
What is the molecular formula of 1-(3,4-dihydroisoquinolin-2(1H)-yl)-2-{[5-(furan-2-yl)-4-(2-methylpropyl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethanone?
The molecular formula of 1-(3,4-dihydroisoquinolin-2(1H)-yl)-2-{[5-(furan-2-yl)-4-(2-methylpropyl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethanone is C21H24N4O2S.
What is the molecular weight of 1-(3,4-dihydroisoquinolin-2(1H)-yl)-2-{[5-(furan-2-yl)-4-(2-methylpropyl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethanone?
The molecular weight of 1-(3,4-dihydroisoquinolin-2(1H)-yl)-2-{[5-(furan-2-yl)-4-(2-methylpropyl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethanone is 396.16 g/mol.
Where can I buy 1-(3,4-dihydroisoquinolin-2(1H)-yl)-2-{[5-(furan-2-yl)-4-(2-methylpropyl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethanone?
You can request a quote for 1-(3,4-dihydroisoquinolin-2(1H)-yl)-2-{[5-(furan-2-yl)-4-(2-methylpropyl)-4H-1,2,4-triazol-3-yl]sulfanyl}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-{[5-(furan-2-yl)-4-(2-methylpropyl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethanone?
Yes, KEHONG BIO provides custom synthesis services for 1-(3,4-dihydroisoquinolin-2(1H)-yl)-2-{[5-(furan-2-yl)-4-(2-methylpropyl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.