![2-([1]benzofuro[3,2-d]pyrimidin-4-ylsulfanyl)-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone structure](/static/products/845/845801-47-0.png)
2-([1]benzofuro[3,2-d]pyrimidin-4-ylsulfanyl)-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone
TL;DR: 2-([1]benzofuro[3,2-d]pyrimidin-4-ylsulfanyl)-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone (CAS 845801-47-0) is a chemical compound with molecular formula C21H17N3O2S and molecular weight 375.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-([1]benzofuro[3,2-d]pyrimidin-4-ylsulfanyl)-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone
Also Known As: 2-([1]benzofuro[3,2-d]pyrimidin-4-ylsulfanyl)-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone, 2-([1]benzofuro[3,2-d]pyrimidin-4-ylsulfanyl)-1-(3,4-dihydroisoquinolin-2(1H)-yl)ethanone, 2-(benzofuro[3,2-d]pyrimidin-4-ylthio)-1-(3,4-dihydroisoquinolin-2(1H)-yl)ethanone
| Molecular Formula | C21H17N3O2S |
|---|---|
| Molecular Weight | 375.10 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 84.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 375.10416 |
| Heavy Atoms | 27 |
| Complexity | 548.0 |
Chemical Identifiers
| CAS Number | 845801-47-0 |
|---|---|
| SMILES | C1CN(CC2=CC=CC=C21)C(=O)CSC3=NC=NC4=C3OC5=CC=CC=C54 |
| InChIKey | YTLFMANJNYDQNH-UHFFFAOYSA-N |
Product Overview
2-([1]benzofuro[3,2-d]pyrimidin-4-ylsulfanyl)-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone (CAS 845801-47-0), with molecular formula C21H17N3O2S and molecular weight 375.10 g/mol. IUPAC: 2-([1]benzofuro[3,2-d]pyrimidin-4-ylsulfanyl)-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone.
Chemical Property Profile of 2-([1]benzofuro[3,2-d]pyrimidin-4-ylsulfanyl)-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone
Property Insights of 2-([1]benzofuro[3,2-d]pyrimidin-4-ylsulfanyl)-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone
The XLogP value of 3.9 indicates that 2-([1]benzofuro[3,2-d]pyrimidin-4-ylsulfanyl)-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 84.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-([1]benzofuro[3,2-d]pyrimidin-4-ylsulfanyl)-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone. Following Lipinski's Rule of Five, 2-([1]benzofuro[3,2-d]pyrimidin-4-ylsulfanyl)-1-(3,4-dihydro-1H-isoquinolin-2-yl)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 2-([1]benzofuro[3,2-d]pyrimidin-4-ylsulfanyl)-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone?
The CAS number of 2-([1]benzofuro[3,2-d]pyrimidin-4-ylsulfanyl)-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone is 845801-47-0.
What is the molecular formula of 2-([1]benzofuro[3,2-d]pyrimidin-4-ylsulfanyl)-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone?
The molecular formula of 2-([1]benzofuro[3,2-d]pyrimidin-4-ylsulfanyl)-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone is C21H17N3O2S.
What is the molecular weight of 2-([1]benzofuro[3,2-d]pyrimidin-4-ylsulfanyl)-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone?
The molecular weight of 2-([1]benzofuro[3,2-d]pyrimidin-4-ylsulfanyl)-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone is 375.10 g/mol.
Where can I buy 2-([1]benzofuro[3,2-d]pyrimidin-4-ylsulfanyl)-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone?
You can request a quote for 2-([1]benzofuro[3,2-d]pyrimidin-4-ylsulfanyl)-1-(3,4-dihydro-1H-isoquinolin-2-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]benzofuro[3,2-d]pyrimidin-4-ylsulfanyl)-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone?
Yes, KEHONG BIO provides custom synthesis services for 2-([1]benzofuro[3,2-d]pyrimidin-4-ylsulfanyl)-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.