2-oxo-2-(2,2,4,6,7-pentamethylquinolin-1(2H)-yl)ethyl diethylcarbamodithioate
TL;DR: 2-oxo-2-(2,2,4,6,7-pentamethylquinolin-1(2H)-yl)ethyl diethylcarbamodithioate (CAS 333326-17-3) is a chemical compound with molecular formula C21H30N2OS2 and molecular weight 390.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-oxo-2-(2,2,4,6,7-pentamethylquinolin-1-yl)ethyl] N,N-diethylcarbamodithioate
Also Known As: BAS 02232925, 2-oxo-2-(2,2,4,6,7-pentamethylquinolin-1(2H)-yl)ethyl diethylcarbamodithioate, [2-oxo-2-(2,2,4,6,7-pentamethylquinolin-1-yl)ethyl] N,N-diethylcarbamodithioate, 2-[(diethylamino)thioxomethylthio]-1-(2,2,4,6,7-pentamethyl(1,2-dihydroquinoly l))ethan-1-one, 2-[(DIETHYLCARBAMOTHIOYL)SULFANYL]-1-(2,2,4,6,7-PENTAMETHYL-1,2-DIHYDROQUINOLIN-1-YL)ETHAN-1-ONE
| Molecular Formula | C21H30N2OS2 |
|---|---|
| Molecular Weight | 390.18 g/mol |
| LogP | 5.19184 |
| Topological Polar Surface Area | 23.55 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 390.17996 |
| Heavy Atoms | 26 |
| Complexity | 748.6231 |
Chemical Identifiers
| CAS Number | 333326-17-3 |
|---|---|
| SMILES | CCN(CC)C(=S)SCC(=O)N1C2=C(C=C(C(=C2)C)C)C(=CC1(C)C)C |
Product Overview
2-oxo-2-(2,2,4,6,7-pentamethylquinolin-1(2H)-yl)ethyl diethylcarbamodithioate (CAS 333326-17-3), with molecular formula C21H30N2OS2 and molecular weight 390.18 g/mol. IUPAC: [2-oxo-2-(2,2,4,6,7-pentamethylquinolin-1-yl)ethyl] N,N-diethylcarbamodithioate.
Chemical Property Profile of 2-oxo-2-(2,2,4,6,7-pentamethylquinolin-1(2H)-yl)ethyl diethylcarbamodithioate
Property Insights of 2-oxo-2-(2,2,4,6,7-pentamethylquinolin-1(2H)-yl)ethyl diethylcarbamodithioate
The XLogP value of 5.19184 indicates that 2-oxo-2-(2,2,4,6,7-pentamethylquinolin-1(2H)-yl)ethyl diethylcarbamodithioate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 23.55 Ų, 2-oxo-2-(2,2,4,6,7-pentamethylquinolin-1(2H)-yl)ethyl diethylcarbamodithioate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-oxo-2-(2,2,4,6,7-pentamethylquinolin-1(2H)-yl)ethyl diethylcarbamodithioate has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-oxo-2-(2,2,4,6,7-pentamethylquinolin-1(2H)-yl)ethyl diethylcarbamodithioate?
The CAS number of 2-oxo-2-(2,2,4,6,7-pentamethylquinolin-1(2H)-yl)ethyl diethylcarbamodithioate is 333326-17-3.
What is the molecular formula of 2-oxo-2-(2,2,4,6,7-pentamethylquinolin-1(2H)-yl)ethyl diethylcarbamodithioate?
The molecular formula of 2-oxo-2-(2,2,4,6,7-pentamethylquinolin-1(2H)-yl)ethyl diethylcarbamodithioate is C21H30N2OS2.
What is the molecular weight of 2-oxo-2-(2,2,4,6,7-pentamethylquinolin-1(2H)-yl)ethyl diethylcarbamodithioate?
The molecular weight of 2-oxo-2-(2,2,4,6,7-pentamethylquinolin-1(2H)-yl)ethyl diethylcarbamodithioate is 390.18 g/mol.
Where can I buy 2-oxo-2-(2,2,4,6,7-pentamethylquinolin-1(2H)-yl)ethyl diethylcarbamodithioate?
You can request a quote for 2-oxo-2-(2,2,4,6,7-pentamethylquinolin-1(2H)-yl)ethyl diethylcarbamodithioate 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-(2,2,4,6,7-pentamethylquinolin-1(2H)-yl)ethyl diethylcarbamodithioate?
Yes, KEHONG BIO provides custom synthesis services for 2-oxo-2-(2,2,4,6,7-pentamethylquinolin-1(2H)-yl)ethyl diethylcarbamodithioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.