![1-(8-ethoxy-4,4-dimethyl-1-thioxo-1,4-dihydro-5H-[1,2]dithiolo[3,4-c]quinolin-5-yl)-2-[(4-methylpyrimidin-2-yl)sulfanyl]ethanone structure](/static/products/7745/774561-84-1.webp)
1-(8-ethoxy-4,4-dimethyl-1-thioxo-1,4-dihydro-5H-[1,2]dithiolo[3,4-c]quinolin-5-yl)-2-[(4-methylpyrimidin-2-yl)sulfanyl]ethanone
TL;DR: 1-(8-ethoxy-4,4-dimethyl-1-thioxo-1,4-dihydro-5H-[1,2]dithiolo[3,4-c]quinolin-5-yl)-2-[(4-methylpyrimidin-2-yl)sulfanyl]ethanone (CAS 774561-84-1) is a chemical compound with molecular formula C21H21N3O2S4 and molecular weight 475.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(8-ethoxy-4,4-dimethyl-1-sulfanylidenedithiolo[3,4-c]quinolin-5-yl)-2-(4-methylpyrimidin-2-yl)sulfanylethanone
Also Known As: 1-(8-ethoxy-4,4-dimethyl-1-thioxo-1,4-dihydro-5H-[1,2]dithiolo[3,4-c]quinolin-5-yl)-2-[(4-methylpyrimidin-2-yl)sulfanyl]ethanone, 1-(8-ethoxy-4,4-dimethyl-1-sulfanylidenedithiolo[3,4-c]quinolin-5-yl)-2-(4-methylpyrimidin-2-yl)sulfanylethanone, 1-(8-ethoxy-4,4-dimethyl-1-thioxo(4,5-dihydro-1,2-dithioleno[5,4-c]quinolin-5- yl))-2-(4-methylpyrimidin-2-ylthio)ethan-1-one, 1-(8-ethoxy-4,4-dimethyl-1-thioxo-1,4-dihydro-5H-[1,2]dithiolo[3,4-c]quinolin-5-yl)-2-[(4-methyl-2-pyrimidinyl)sulfanyl]-1-ethanone, 1-(8-ethoxy-4,4-dimethyl-1-thioxo-1H-[1,2]dithiolo[3,4-c]quinolin-5(4H)-yl)-2-((4-methylpyrimidin-2-yl)thio)ethanone
| Molecular Formula | C21H21N3O2S4 |
|---|---|
| Molecular Weight | 475.05 g/mol |
| LogP | 6.07721 |
| Topological Polar Surface Area | 55.32 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 475.05167 |
| Heavy Atoms | 30 |
| Complexity | 1169.0533 |
Chemical Identifiers
| CAS Number | 774561-84-1 |
|---|---|
| SMILES | CCOC1=CC2=C(C=C1)N(C(C3=C2C(=S)SS3)(C)C)C(=O)CSC4=NC=CC(=N4)C |
Product Overview
1-(8-ethoxy-4,4-dimethyl-1-thioxo-1,4-dihydro-5H-[1,2]dithiolo[3,4-c]quinolin-5-yl)-2-[(4-methylpyrimidin-2-yl)sulfanyl]ethanone (CAS 774561-84-1), with molecular formula C21H21N3O2S4 and molecular weight 475.05 g/mol. IUPAC: 1-(8-ethoxy-4,4-dimethyl-1-sulfanylidenedithiolo[3,4-c]quinolin-5-yl)-2-(4-methylpyrimidin-2-yl)sulfanylethanone.
Chemical Property Profile of 1-(8-ethoxy-4,4-dimethyl-1-thioxo-1,4-dihydro-5H-[1,2]dithiolo[3,4-c]quinolin-5-yl)-2-[(4-methylpyrimidin-2-yl)sulfanyl]ethanone
Property Insights of 1-(8-ethoxy-4,4-dimethyl-1-thioxo-1,4-dihydro-5H-[1,2]dithiolo[3,4-c]quinolin-5-yl)-2-[(4-methylpyrimidin-2-yl)sulfanyl]ethanone
The XLogP value of 6.07721 indicates that 1-(8-ethoxy-4,4-dimethyl-1-thioxo-1,4-dihydro-5H-[1,2]dithiolo[3,4-c]quinolin-5-yl)-2-[(4-methylpyrimidin-2-yl)sulfanyl]ethanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.32 Ų, 1-(8-ethoxy-4,4-dimethyl-1-thioxo-1,4-dihydro-5H-[1,2]dithiolo[3,4-c]quinolin-5-yl)-2-[(4-methylpyrimidin-2-yl)sulfanyl]ethanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(8-ethoxy-4,4-dimethyl-1-thioxo-1,4-dihydro-5H-[1,2]dithiolo[3,4-c]quinolin-5-yl)-2-[(4-methylpyrimidin-2-yl)sulfanyl]ethanone has 0 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1-(8-ethoxy-4,4-dimethyl-1-thioxo-1,4-dihydro-5H-[1,2]dithiolo[3,4-c]quinolin-5-yl)-2-[(4-methylpyrimidin-2-yl)sulfanyl]ethanone?
The CAS number of 1-(8-ethoxy-4,4-dimethyl-1-thioxo-1,4-dihydro-5H-[1,2]dithiolo[3,4-c]quinolin-5-yl)-2-[(4-methylpyrimidin-2-yl)sulfanyl]ethanone is 774561-84-1.
What is the molecular formula of 1-(8-ethoxy-4,4-dimethyl-1-thioxo-1,4-dihydro-5H-[1,2]dithiolo[3,4-c]quinolin-5-yl)-2-[(4-methylpyrimidin-2-yl)sulfanyl]ethanone?
The molecular formula of 1-(8-ethoxy-4,4-dimethyl-1-thioxo-1,4-dihydro-5H-[1,2]dithiolo[3,4-c]quinolin-5-yl)-2-[(4-methylpyrimidin-2-yl)sulfanyl]ethanone is C21H21N3O2S4.
What is the molecular weight of 1-(8-ethoxy-4,4-dimethyl-1-thioxo-1,4-dihydro-5H-[1,2]dithiolo[3,4-c]quinolin-5-yl)-2-[(4-methylpyrimidin-2-yl)sulfanyl]ethanone?
The molecular weight of 1-(8-ethoxy-4,4-dimethyl-1-thioxo-1,4-dihydro-5H-[1,2]dithiolo[3,4-c]quinolin-5-yl)-2-[(4-methylpyrimidin-2-yl)sulfanyl]ethanone is 475.05 g/mol.
Where can I buy 1-(8-ethoxy-4,4-dimethyl-1-thioxo-1,4-dihydro-5H-[1,2]dithiolo[3,4-c]quinolin-5-yl)-2-[(4-methylpyrimidin-2-yl)sulfanyl]ethanone?
You can request a quote for 1-(8-ethoxy-4,4-dimethyl-1-thioxo-1,4-dihydro-5H-[1,2]dithiolo[3,4-c]quinolin-5-yl)-2-[(4-methylpyrimidin-2-yl)sulfanyl]ethanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(8-ethoxy-4,4-dimethyl-1-thioxo-1,4-dihydro-5H-[1,2]dithiolo[3,4-c]quinolin-5-yl)-2-[(4-methylpyrimidin-2-yl)sulfanyl]ethanone?
Yes, KEHONG BIO provides custom synthesis services for 1-(8-ethoxy-4,4-dimethyl-1-thioxo-1,4-dihydro-5H-[1,2]dithiolo[3,4-c]quinolin-5-yl)-2-[(4-methylpyrimidin-2-yl)sulfanyl]ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.