2-(7H-purin-6-ylsulfanyl)-1-(1,2,3,4-tetrahydroquinolin-1-yl)ethan-1-one
TL;DR: 2-(7H-purin-6-ylsulfanyl)-1-(1,2,3,4-tetrahydroquinolin-1-yl)ethan-1-one (CAS 710968-40-4) is a chemical compound with molecular formula C16H15N5OS and molecular weight 325.10 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-(7H-purin-6-ylsulfanyl)ethanone
Also Known As: 2-(7H-purin-6-ylsulfanyl)-1-(1,2,3,4-tetrahydroquinolin-1-yl)ethan-1-one, 1-(3,4-dihydro-2H-quinolin-1-yl)-2-(7H-purin-6-ylsulfanyl)ethanone, 2-purin-6-ylthio-1-(1,2,3,4-tetrahydroquinolyl)ethan-1-one, 1-(3,4-dihydroquinolin-1(2H)-yl)-2-(7H-purin-6-ylsulfanyl)ethanone, 2-(9H-purin-6-ylsulfanyl)-1-(1,2,3,4-tetrahydroquinolin-1-yl)ethan-1-one
| Molecular Formula | C16H15N5OS |
|---|---|
| Molecular Weight | 325.10 g/mol |
| LogP | 2.4244 |
| Topological Polar Surface Area | 74.77 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 325.09973 |
| Heavy Atoms | 23 |
| Complexity | 862.3077 |
Chemical Identifiers
| CAS Number | 710968-40-4 |
|---|---|
| SMILES | C1CC2=CC=CC=C2N(C1)C(=O)CSC3=NC=NC4=C3NC=N4 |
Product Overview
2-(7H-purin-6-ylsulfanyl)-1-(1,2,3,4-tetrahydroquinolin-1-yl)ethan-1-one (CAS 710968-40-4), with molecular formula C16H15N5OS and molecular weight 325.10 g/mol. IUPAC: 1-(3,4-dihydro-2H-quinolin-1-yl)-2-(7H-purin-6-ylsulfanyl)ethanone.
Chemical Property Profile of 2-(7H-purin-6-ylsulfanyl)-1-(1,2,3,4-tetrahydroquinolin-1-yl)ethan-1-one
Property Insights of 2-(7H-purin-6-ylsulfanyl)-1-(1,2,3,4-tetrahydroquinolin-1-yl)ethan-1-one
The XLogP value of 2.4244 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(7H-purin-6-ylsulfanyl)-1-(1,2,3,4-tetrahydroquinolin-1-yl)ethan-1-one. The TPSA of 74.77 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(7H-purin-6-ylsulfanyl)-1-(1,2,3,4-tetrahydroquinolin-1-yl)ethan-1-one. Following Lipinski's Rule of Five, 2-(7H-purin-6-ylsulfanyl)-1-(1,2,3,4-tetrahydroquinolin-1-yl)ethan-1-one has 1 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-(7H-purin-6-ylsulfanyl)-1-(1,2,3,4-tetrahydroquinolin-1-yl)ethan-1-one?
The CAS number of 2-(7H-purin-6-ylsulfanyl)-1-(1,2,3,4-tetrahydroquinolin-1-yl)ethan-1-one is 710968-40-4.
What is the molecular formula of 2-(7H-purin-6-ylsulfanyl)-1-(1,2,3,4-tetrahydroquinolin-1-yl)ethan-1-one?
The molecular formula of 2-(7H-purin-6-ylsulfanyl)-1-(1,2,3,4-tetrahydroquinolin-1-yl)ethan-1-one is C16H15N5OS.
What is the molecular weight of 2-(7H-purin-6-ylsulfanyl)-1-(1,2,3,4-tetrahydroquinolin-1-yl)ethan-1-one?
The molecular weight of 2-(7H-purin-6-ylsulfanyl)-1-(1,2,3,4-tetrahydroquinolin-1-yl)ethan-1-one is 325.10 g/mol.
Where can I buy 2-(7H-purin-6-ylsulfanyl)-1-(1,2,3,4-tetrahydroquinolin-1-yl)ethan-1-one?
You can request a quote for 2-(7H-purin-6-ylsulfanyl)-1-(1,2,3,4-tetrahydroquinolin-1-yl)ethan-1-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(7H-purin-6-ylsulfanyl)-1-(1,2,3,4-tetrahydroquinolin-1-yl)ethan-1-one?
Yes, KEHONG BIO provides custom synthesis services for 2-(7H-purin-6-ylsulfanyl)-1-(1,2,3,4-tetrahydroquinolin-1-yl)ethan-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.