2-oxo-2-(2,2,4-trimethylquinolin-1(2H)-yl)ethyl thiocyanate
TL;DR: 2-oxo-2-(2,2,4-trimethylquinolin-1(2H)-yl)ethyl thiocyanate (CAS 373618-47-4) is a chemical compound with molecular formula C15H16N2OS and molecular weight 272.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-oxo-2-(2,2,4-trimethylquinolin-1-yl)ethyl] thiocyanate
Also Known As: [2-oxo-2-(2,2,4-trimethylquinolin-1-yl)ethyl] thiocyanate, 2-oxo-2-(2,2,4-trimethylquinolin-1(2H)-yl)ethyl thiocyanate, 2-thiocyanato-1-(2,2,4-trimethylquinolin-1(2H)-yl)ethanone
| Molecular Formula | C15H16N2OS |
|---|---|
| Molecular Weight | 272.10 g/mol |
| LogP | 3.42938 |
| Topological Polar Surface Area | 44.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 272.09833 |
| Heavy Atoms | 19 |
| Complexity | 584.0535 |
Chemical Identifiers
| CAS Number | 373618-47-4 |
|---|---|
| SMILES | CC1=CC(N(C2=CC=CC=C12)C(=O)CSC#N)(C)C |
Product Overview
2-oxo-2-(2,2,4-trimethylquinolin-1(2H)-yl)ethyl thiocyanate (CAS 373618-47-4), with molecular formula C15H16N2OS and molecular weight 272.10 g/mol. IUPAC: [2-oxo-2-(2,2,4-trimethylquinolin-1-yl)ethyl] thiocyanate.
Chemical Property Profile of 2-oxo-2-(2,2,4-trimethylquinolin-1(2H)-yl)ethyl thiocyanate
Property Insights of 2-oxo-2-(2,2,4-trimethylquinolin-1(2H)-yl)ethyl thiocyanate
The XLogP value of 3.42938 indicates that 2-oxo-2-(2,2,4-trimethylquinolin-1(2H)-yl)ethyl thiocyanate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 44.1 Ų, 2-oxo-2-(2,2,4-trimethylquinolin-1(2H)-yl)ethyl thiocyanate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-oxo-2-(2,2,4-trimethylquinolin-1(2H)-yl)ethyl thiocyanate has 0 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 2-oxo-2-(2,2,4-trimethylquinolin-1(2H)-yl)ethyl thiocyanate?
The CAS number of 2-oxo-2-(2,2,4-trimethylquinolin-1(2H)-yl)ethyl thiocyanate is 373618-47-4.
What is the molecular formula of 2-oxo-2-(2,2,4-trimethylquinolin-1(2H)-yl)ethyl thiocyanate?
The molecular formula of 2-oxo-2-(2,2,4-trimethylquinolin-1(2H)-yl)ethyl thiocyanate is C15H16N2OS.
What is the molecular weight of 2-oxo-2-(2,2,4-trimethylquinolin-1(2H)-yl)ethyl thiocyanate?
The molecular weight of 2-oxo-2-(2,2,4-trimethylquinolin-1(2H)-yl)ethyl thiocyanate is 272.10 g/mol.
Where can I buy 2-oxo-2-(2,2,4-trimethylquinolin-1(2H)-yl)ethyl thiocyanate?
You can request a quote for 2-oxo-2-(2,2,4-trimethylquinolin-1(2H)-yl)ethyl thiocyanate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-oxo-2-(2,2,4-trimethylquinolin-1(2H)-yl)ethyl thiocyanate?
Yes, KEHONG BIO provides custom synthesis services for 2-oxo-2-(2,2,4-trimethylquinolin-1(2H)-yl)ethyl thiocyanate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.