![1-(3,4-dihydroquinolin-1(2H)-yl)-2-((3-(4-methoxyphenyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-yl)thio)ethanone structure](/static/products/863/863500-16-7.png)
1-(3,4-dihydroquinolin-1(2H)-yl)-2-((3-(4-methoxyphenyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-yl)thio)ethanone
TL;DR: 1-(3,4-dihydroquinolin-1(2H)-yl)-2-((3-(4-methoxyphenyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-yl)thio)ethanone (CAS 863500-16-7) is a chemical compound with molecular formula C22H20N6O2S and molecular weight 432.14 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-[3-(4-methoxyphenyl)triazolo[4,5-d]pyrimidin-7-yl]sulfanylethanone
Also Known As: 1-(3,4-dihydroquinolin-1(2H)-yl)-2-((3-(4-methoxyphenyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-yl)thio)ethanone, 2-{[3-(4-methoxyphenyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-yl]sulfanyl}-1-(1,2,3,4-tetrahydroquinolin-1-yl)ethan-1-one, 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[3-(4-methoxyphenyl)triazolo[4,5-d]pyrimidin-7-yl]sulfanylethanone, 1-({[3-(4-methoxyphenyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-yl]thio}acetyl)-1,2,3,4-tetrahydroquinoline
| Molecular Formula | C22H20N6O2S |
|---|---|
| Molecular Weight | 432.14 g/mol |
| LogP | 3.2906 |
| Topological Polar Surface Area | 86.03 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 432.13684 |
| Heavy Atoms | 31 |
| Complexity | 1240.4786 |
Chemical Identifiers
| CAS Number | 863500-16-7 |
|---|---|
| SMILES | COC1=CC=C(C=C1)N2C3=C(C(=NC=N3)SCC(=O)N4CCCC5=CC=CC=C54)N=N2 |
Product Overview
1-(3,4-dihydroquinolin-1(2H)-yl)-2-((3-(4-methoxyphenyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-yl)thio)ethanone (CAS 863500-16-7), with molecular formula C22H20N6O2S and molecular weight 432.14 g/mol. IUPAC: 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[3-(4-methoxyphenyl)triazolo[4,5-d]pyrimidin-7-yl]sulfanylethanone.
Chemical Property Profile of 1-(3,4-dihydroquinolin-1(2H)-yl)-2-((3-(4-methoxyphenyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-yl)thio)ethanone
Property Insights of 1-(3,4-dihydroquinolin-1(2H)-yl)-2-((3-(4-methoxyphenyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-yl)thio)ethanone
The XLogP value of 3.2906 indicates that 1-(3,4-dihydroquinolin-1(2H)-yl)-2-((3-(4-methoxyphenyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-yl)thio)ethanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 86.03 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(3,4-dihydroquinolin-1(2H)-yl)-2-((3-(4-methoxyphenyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-yl)thio)ethanone. Following Lipinski's Rule of Five, 1-(3,4-dihydroquinolin-1(2H)-yl)-2-((3-(4-methoxyphenyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-yl)thio)ethanone has 0 hydrogen bond donor(s) and 7 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-dihydroquinolin-1(2H)-yl)-2-((3-(4-methoxyphenyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-yl)thio)ethanone?
The CAS number of 1-(3,4-dihydroquinolin-1(2H)-yl)-2-((3-(4-methoxyphenyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-yl)thio)ethanone is 863500-16-7.
What is the molecular formula of 1-(3,4-dihydroquinolin-1(2H)-yl)-2-((3-(4-methoxyphenyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-yl)thio)ethanone?
The molecular formula of 1-(3,4-dihydroquinolin-1(2H)-yl)-2-((3-(4-methoxyphenyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-yl)thio)ethanone is C22H20N6O2S.
What is the molecular weight of 1-(3,4-dihydroquinolin-1(2H)-yl)-2-((3-(4-methoxyphenyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-yl)thio)ethanone?
The molecular weight of 1-(3,4-dihydroquinolin-1(2H)-yl)-2-((3-(4-methoxyphenyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-yl)thio)ethanone is 432.14 g/mol.
Where can I buy 1-(3,4-dihydroquinolin-1(2H)-yl)-2-((3-(4-methoxyphenyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-yl)thio)ethanone?
You can request a quote for 1-(3,4-dihydroquinolin-1(2H)-yl)-2-((3-(4-methoxyphenyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-yl)thio)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-dihydroquinolin-1(2H)-yl)-2-((3-(4-methoxyphenyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-yl)thio)ethanone?
Yes, KEHONG BIO provides custom synthesis services for 1-(3,4-dihydroquinolin-1(2H)-yl)-2-((3-(4-methoxyphenyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-yl)thio)ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.