![2-(4,4-dimethyl-1-thioxo-1,4-dihydro-5H-[1,2]dithiolo[3,4-c]quinolin-5-yl)-2-oxoethyl 4-methylpiperidine-1-carbodithioate structure](/static/products/4024/402470-58-0.webp)
2-(4,4-dimethyl-1-thioxo-1,4-dihydro-5H-[1,2]dithiolo[3,4-c]quinolin-5-yl)-2-oxoethyl 4-methylpiperidine-1-carbodithioate
TL;DR: 2-(4,4-dimethyl-1-thioxo-1,4-dihydro-5H-[1,2]dithiolo[3,4-c]quinolin-5-yl)-2-oxoethyl 4-methylpiperidine-1-carbodithioate (CAS 402470-58-0) is a chemical compound with molecular formula C21H24N2OS5 and molecular weight 480.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(4,4-dimethyl-1-sulfanylidenedithiolo[3,4-c]quinolin-5-yl)-2-oxoethyl] 4-methylpiperidine-1-carbodithioate
Also Known As: 2-(4,4-dimethyl-1-thioxo-1,4-dihydro-5H-[1,2]dithiolo[3,4-c]quinolin-5-yl)-2-oxoethyl 4-methylpiperidine-1-carbodithioate, [2-(4,4-dimethyl-1-sulfanylidenedithiolo[3,4-c]quinolin-5-yl)-2-oxoethyl] 4-methylpiperidine-1-carbodithioate, 1-(4,4-dimethyl-1-thioxo(4,5-dihydro-1,2-dithioleno[5,4-c]quinolin-5-yl))-2-[( 4-methylpiperidyl)thioxomethylthio]ethan-1-one, 2-(4,4-dimethyl-1-thioxo-1H-[1,2]dithiolo[3,4-c]quinolin-5(4H)-yl)-2-oxoethyl 4-methylpiperidine-1-carbodithioate, 2-{4,4-DIMETHYL-1-SULFANYLIDENE-1H,4H,5H-[1,2]DITHIOLO[3,4-C]QUINOLIN-5-YL}-2-OXOETHYL 4-METHYLPIPERIDINE-1-CARBODITHIOATE
| Molecular Formula | C21H24N2OS5 |
|---|---|
| Molecular Weight | 480.05 g/mol |
| LogP | 6.53779 |
| Topological Polar Surface Area | 23.55 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 480.04922 |
| Heavy Atoms | 29 |
| Complexity | 1000.49554 |
Chemical Identifiers
| CAS Number | 402470-58-0 |
|---|---|
| SMILES | CC1CCN(CC1)C(=S)SCC(=O)N2C3=CC=CC=C3C4=C(C2(C)C)SSC4=S |
Product Overview
2-(4,4-dimethyl-1-thioxo-1,4-dihydro-5H-[1,2]dithiolo[3,4-c]quinolin-5-yl)-2-oxoethyl 4-methylpiperidine-1-carbodithioate (CAS 402470-58-0), with molecular formula C21H24N2OS5 and molecular weight 480.05 g/mol. IUPAC: [2-(4,4-dimethyl-1-sulfanylidenedithiolo[3,4-c]quinolin-5-yl)-2-oxoethyl] 4-methylpiperidine-1-carbodithioate.
Chemical Property Profile of 2-(4,4-dimethyl-1-thioxo-1,4-dihydro-5H-[1,2]dithiolo[3,4-c]quinolin-5-yl)-2-oxoethyl 4-methylpiperidine-1-carbodithioate
Property Insights of 2-(4,4-dimethyl-1-thioxo-1,4-dihydro-5H-[1,2]dithiolo[3,4-c]quinolin-5-yl)-2-oxoethyl 4-methylpiperidine-1-carbodithioate
The XLogP value of 6.53779 indicates that 2-(4,4-dimethyl-1-thioxo-1,4-dihydro-5H-[1,2]dithiolo[3,4-c]quinolin-5-yl)-2-oxoethyl 4-methylpiperidine-1-carbodithioate 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-(4,4-dimethyl-1-thioxo-1,4-dihydro-5H-[1,2]dithiolo[3,4-c]quinolin-5-yl)-2-oxoethyl 4-methylpiperidine-1-carbodithioate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(4,4-dimethyl-1-thioxo-1,4-dihydro-5H-[1,2]dithiolo[3,4-c]quinolin-5-yl)-2-oxoethyl 4-methylpiperidine-1-carbodithioate has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-(4,4-dimethyl-1-thioxo-1,4-dihydro-5H-[1,2]dithiolo[3,4-c]quinolin-5-yl)-2-oxoethyl 4-methylpiperidine-1-carbodithioate?
The CAS number of 2-(4,4-dimethyl-1-thioxo-1,4-dihydro-5H-[1,2]dithiolo[3,4-c]quinolin-5-yl)-2-oxoethyl 4-methylpiperidine-1-carbodithioate is 402470-58-0.
What is the molecular formula of 2-(4,4-dimethyl-1-thioxo-1,4-dihydro-5H-[1,2]dithiolo[3,4-c]quinolin-5-yl)-2-oxoethyl 4-methylpiperidine-1-carbodithioate?
The molecular formula of 2-(4,4-dimethyl-1-thioxo-1,4-dihydro-5H-[1,2]dithiolo[3,4-c]quinolin-5-yl)-2-oxoethyl 4-methylpiperidine-1-carbodithioate is C21H24N2OS5.
What is the molecular weight of 2-(4,4-dimethyl-1-thioxo-1,4-dihydro-5H-[1,2]dithiolo[3,4-c]quinolin-5-yl)-2-oxoethyl 4-methylpiperidine-1-carbodithioate?
The molecular weight of 2-(4,4-dimethyl-1-thioxo-1,4-dihydro-5H-[1,2]dithiolo[3,4-c]quinolin-5-yl)-2-oxoethyl 4-methylpiperidine-1-carbodithioate is 480.05 g/mol.
Where can I buy 2-(4,4-dimethyl-1-thioxo-1,4-dihydro-5H-[1,2]dithiolo[3,4-c]quinolin-5-yl)-2-oxoethyl 4-methylpiperidine-1-carbodithioate?
You can request a quote for 2-(4,4-dimethyl-1-thioxo-1,4-dihydro-5H-[1,2]dithiolo[3,4-c]quinolin-5-yl)-2-oxoethyl 4-methylpiperidine-1-carbodithioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(4,4-dimethyl-1-thioxo-1,4-dihydro-5H-[1,2]dithiolo[3,4-c]quinolin-5-yl)-2-oxoethyl 4-methylpiperidine-1-carbodithioate?
Yes, KEHONG BIO provides custom synthesis services for 2-(4,4-dimethyl-1-thioxo-1,4-dihydro-5H-[1,2]dithiolo[3,4-c]quinolin-5-yl)-2-oxoethyl 4-methylpiperidine-1-carbodithioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.