![1-(3,4-dihydro-2H-quinolin-1-yl)-2-[(2-methyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)sulfanyl]ethanone structure](/static/products/845/845801-91-4.png)
1-(3,4-dihydro-2H-quinolin-1-yl)-2-[(2-methyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)sulfanyl]ethanone
TL;DR: 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[(2-methyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)sulfanyl]ethanone (CAS 845801-91-4) is a chemical compound with molecular formula C22H19N3O2S and molecular weight 389.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(3,4-dihydro-2H-quinolin-1-yl)-2-[(2-methyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)sulfanyl]ethanone
Also Known As: 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[(2-methyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)sulfanyl]ethanone, 1-(3,4-dihydroquinolin-1(2H)-yl)-2-((2-methylbenzofuro[3,2-d]pyrimidin-4-yl)thio)ethanone, 1-(3,4-dihydroquinolin-1(2H)-yl)-2-[(2-methyl[1]benzofuro[3,2-d]pyrimidin-4-yl)sulfanyl]ethanone
| Molecular Formula | C22H19N3O2S |
|---|---|
| Molecular Weight | 389.12 g/mol |
| LogP | 4.8 |
| Topological Polar Surface Area | 84.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 389.1198 |
| Heavy Atoms | 28 |
| Complexity | 576.0 |
Chemical Identifiers
| CAS Number | 845801-91-4 |
|---|---|
| SMILES | CC1=NC2=C(C(=N1)SCC(=O)N3CCCC4=CC=CC=C43)OC5=CC=CC=C52 |
| InChIKey | WTUOQLDPMLZYGH-UHFFFAOYSA-N |
Product Overview
1-(3,4-dihydro-2H-quinolin-1-yl)-2-[(2-methyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)sulfanyl]ethanone (CAS 845801-91-4), with molecular formula C22H19N3O2S and molecular weight 389.12 g/mol. IUPAC: 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[(2-methyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)sulfanyl]ethanone.
Chemical Property Profile of 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[(2-methyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)sulfanyl]ethanone
Property Insights of 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[(2-methyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)sulfanyl]ethanone
The XLogP value of 4.8 indicates that 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[(2-methyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)sulfanyl]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 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[(2-methyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)sulfanyl]ethanone. Following Lipinski's Rule of Five, 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[(2-methyl-[1]benzofuro[3,2-d]pyrimidin-4-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-dihydro-2H-quinolin-1-yl)-2-[(2-methyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)sulfanyl]ethanone?
The CAS number of 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[(2-methyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)sulfanyl]ethanone is 845801-91-4.
What is the molecular formula of 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[(2-methyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)sulfanyl]ethanone?
The molecular formula of 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[(2-methyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)sulfanyl]ethanone is C22H19N3O2S.
What is the molecular weight of 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[(2-methyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)sulfanyl]ethanone?
The molecular weight of 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[(2-methyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)sulfanyl]ethanone is 389.12 g/mol.
Where can I buy 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[(2-methyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)sulfanyl]ethanone?
You can request a quote for 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[(2-methyl-[1]benzofuro[3,2-d]pyrimidin-4-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-dihydro-2H-quinolin-1-yl)-2-[(2-methyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)sulfanyl]ethanone?
Yes, KEHONG BIO provides custom synthesis services for 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[(2-methyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)sulfanyl]ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.