1-(2-methyl-1H-indol-3-yl)-2-quinolin-2-ylsulfanylethanone
TL;DR: 1-(2-methyl-1H-indol-3-yl)-2-quinolin-2-ylsulfanylethanone (CAS 727689-94-3) is a chemical compound with molecular formula C20H16N2OS and molecular weight 332.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2-methyl-1H-indol-3-yl)-2-quinolin-2-ylsulfanylethanone
Also Known As: CBKinase1_010030, CBKinase1_022430, F3394-1273, 1-(2-methyl-1H-indol-3-yl)-2-(quinolin-2-ylsulfanyl)ethan-1-one, 1-(2-methyl-1H-indol-3-yl)-2-(quinolin-2-ylthio)ethanone
| Molecular Formula | C20H16N2OS |
|---|---|
| Molecular Weight | 332.10 g/mol |
| LogP | 4.99952 |
| Topological Polar Surface Area | 45.75 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 332.09833 |
| Heavy Atoms | 24 |
| Complexity | 1051.8246 |
Chemical Identifiers
| CAS Number | 727689-94-3 |
|---|---|
| SMILES | CC1=C(C2=CC=CC=C2N1)C(=O)CSC3=NC4=CC=CC=C4C=C3 |
Product Overview
1-(2-methyl-1H-indol-3-yl)-2-quinolin-2-ylsulfanylethanone (CAS 727689-94-3), with molecular formula C20H16N2OS and molecular weight 332.10 g/mol. IUPAC: 1-(2-methyl-1H-indol-3-yl)-2-quinolin-2-ylsulfanylethanone.
Chemical Property Profile of 1-(2-methyl-1H-indol-3-yl)-2-quinolin-2-ylsulfanylethanone
Property Insights of 1-(2-methyl-1H-indol-3-yl)-2-quinolin-2-ylsulfanylethanone
The XLogP value of 4.99952 indicates that 1-(2-methyl-1H-indol-3-yl)-2-quinolin-2-ylsulfanylethanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 45.75 Ų, 1-(2-methyl-1H-indol-3-yl)-2-quinolin-2-ylsulfanylethanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(2-methyl-1H-indol-3-yl)-2-quinolin-2-ylsulfanylethanone has 1 hydrogen bond donor(s) and 3 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-(2-methyl-1H-indol-3-yl)-2-quinolin-2-ylsulfanylethanone?
The CAS number of 1-(2-methyl-1H-indol-3-yl)-2-quinolin-2-ylsulfanylethanone is 727689-94-3.
What is the molecular formula of 1-(2-methyl-1H-indol-3-yl)-2-quinolin-2-ylsulfanylethanone?
The molecular formula of 1-(2-methyl-1H-indol-3-yl)-2-quinolin-2-ylsulfanylethanone is C20H16N2OS.
What is the molecular weight of 1-(2-methyl-1H-indol-3-yl)-2-quinolin-2-ylsulfanylethanone?
The molecular weight of 1-(2-methyl-1H-indol-3-yl)-2-quinolin-2-ylsulfanylethanone is 332.10 g/mol.
Where can I buy 1-(2-methyl-1H-indol-3-yl)-2-quinolin-2-ylsulfanylethanone?
You can request a quote for 1-(2-methyl-1H-indol-3-yl)-2-quinolin-2-ylsulfanylethanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(2-methyl-1H-indol-3-yl)-2-quinolin-2-ylsulfanylethanone?
Yes, KEHONG BIO provides custom synthesis services for 1-(2-methyl-1H-indol-3-yl)-2-quinolin-2-ylsulfanylethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.