![2-[(4-methylpyrimidin-2-yl)sulfanyl]-1-(4,4,7,8-tetramethyl-1-thioxo-1,4-dihydro-5H-[1,2]dithiolo[3,4-c]quinolin-5-yl)ethanone structure](/static/products/7745/774561-86-3.webp)
2-[(4-methylpyrimidin-2-yl)sulfanyl]-1-(4,4,7,8-tetramethyl-1-thioxo-1,4-dihydro-5H-[1,2]dithiolo[3,4-c]quinolin-5-yl)ethanone
TL;DR: 2-[(4-methylpyrimidin-2-yl)sulfanyl]-1-(4,4,7,8-tetramethyl-1-thioxo-1,4-dihydro-5H-[1,2]dithiolo[3,4-c]quinolin-5-yl)ethanone (CAS 774561-86-3) is a chemical compound with molecular formula C21H21N3OS4 and molecular weight 459.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-methylpyrimidin-2-yl)sulfanyl-1-(4,4,7,8-tetramethyl-1-sulfanylidenedithiolo[3,4-c]quinolin-5-yl)ethanone
Also Known As: 2-[(4-methylpyrimidin-2-yl)sulfanyl]-1-(4,4,7,8-tetramethyl-1-thioxo-1,4-dihydro-5H-[1,2]dithiolo[3,4-c]quinolin-5-yl)ethanone, 2-((4-methylpyrimidin-2-yl)thio)-1-(4,4,7,8-tetramethyl-1-thioxo-1H-[1,2]dithiolo[3,4-c]quinolin-5(4H)-yl)ethanone, 2-(4-methylpyrimidin-2-yl)sulfanyl-1-(4,4,7,8-tetramethyl-1-sulfanylidenedithiolo[3,4-c]quinolin-5-yl)ethanone, 2-(4-methylpyrimidin-2-ylthio)-1-(4,4,7,8-tetramethyl-1-thioxo(4,5-dihydro-1,2 -dithioleno[5,4-c]quinolin-5-yl))ethan-1-one, 2-[(4-METHYLPYRIMIDIN-2-YL)SULFANYL]-1-{4,4,7,8-TETRAMETHYL-1-SULFANYLIDENE-1H,4H,5H-[1,2]DITHIOLO[3,4-C]QUINOLIN-5-YL}ETHAN-1-ONE
| Molecular Formula | C21H21N3OS4 |
|---|---|
| Molecular Weight | 459.06 g/mol |
| LogP | 6.29535 |
| Topological Polar Surface Area | 46.09 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 459.05673 |
| Heavy Atoms | 29 |
| Complexity | 1178.9095 |
Chemical Identifiers
| CAS Number | 774561-86-3 |
|---|---|
| SMILES | CC1=NC(=NC=C1)SCC(=O)N2C3=C(C=C(C(=C3)C)C)C4=C(C2(C)C)SSC4=S |
Product Overview
2-[(4-methylpyrimidin-2-yl)sulfanyl]-1-(4,4,7,8-tetramethyl-1-thioxo-1,4-dihydro-5H-[1,2]dithiolo[3,4-c]quinolin-5-yl)ethanone (CAS 774561-86-3), with molecular formula C21H21N3OS4 and molecular weight 459.06 g/mol. IUPAC: 2-(4-methylpyrimidin-2-yl)sulfanyl-1-(4,4,7,8-tetramethyl-1-sulfanylidenedithiolo[3,4-c]quinolin-5-yl)ethanone.
Chemical Property Profile of 2-[(4-methylpyrimidin-2-yl)sulfanyl]-1-(4,4,7,8-tetramethyl-1-thioxo-1,4-dihydro-5H-[1,2]dithiolo[3,4-c]quinolin-5-yl)ethanone
Property Insights of 2-[(4-methylpyrimidin-2-yl)sulfanyl]-1-(4,4,7,8-tetramethyl-1-thioxo-1,4-dihydro-5H-[1,2]dithiolo[3,4-c]quinolin-5-yl)ethanone
The XLogP value of 6.29535 indicates that 2-[(4-methylpyrimidin-2-yl)sulfanyl]-1-(4,4,7,8-tetramethyl-1-thioxo-1,4-dihydro-5H-[1,2]dithiolo[3,4-c]quinolin-5-yl)ethanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.09 Ų, 2-[(4-methylpyrimidin-2-yl)sulfanyl]-1-(4,4,7,8-tetramethyl-1-thioxo-1,4-dihydro-5H-[1,2]dithiolo[3,4-c]quinolin-5-yl)ethanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-[(4-methylpyrimidin-2-yl)sulfanyl]-1-(4,4,7,8-tetramethyl-1-thioxo-1,4-dihydro-5H-[1,2]dithiolo[3,4-c]quinolin-5-yl)ethanone has 0 hydrogen bond donor(s) and 7 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-methylpyrimidin-2-yl)sulfanyl]-1-(4,4,7,8-tetramethyl-1-thioxo-1,4-dihydro-5H-[1,2]dithiolo[3,4-c]quinolin-5-yl)ethanone?
The CAS number of 2-[(4-methylpyrimidin-2-yl)sulfanyl]-1-(4,4,7,8-tetramethyl-1-thioxo-1,4-dihydro-5H-[1,2]dithiolo[3,4-c]quinolin-5-yl)ethanone is 774561-86-3.
What is the molecular formula of 2-[(4-methylpyrimidin-2-yl)sulfanyl]-1-(4,4,7,8-tetramethyl-1-thioxo-1,4-dihydro-5H-[1,2]dithiolo[3,4-c]quinolin-5-yl)ethanone?
The molecular formula of 2-[(4-methylpyrimidin-2-yl)sulfanyl]-1-(4,4,7,8-tetramethyl-1-thioxo-1,4-dihydro-5H-[1,2]dithiolo[3,4-c]quinolin-5-yl)ethanone is C21H21N3OS4.
What is the molecular weight of 2-[(4-methylpyrimidin-2-yl)sulfanyl]-1-(4,4,7,8-tetramethyl-1-thioxo-1,4-dihydro-5H-[1,2]dithiolo[3,4-c]quinolin-5-yl)ethanone?
The molecular weight of 2-[(4-methylpyrimidin-2-yl)sulfanyl]-1-(4,4,7,8-tetramethyl-1-thioxo-1,4-dihydro-5H-[1,2]dithiolo[3,4-c]quinolin-5-yl)ethanone is 459.06 g/mol.
Where can I buy 2-[(4-methylpyrimidin-2-yl)sulfanyl]-1-(4,4,7,8-tetramethyl-1-thioxo-1,4-dihydro-5H-[1,2]dithiolo[3,4-c]quinolin-5-yl)ethanone?
You can request a quote for 2-[(4-methylpyrimidin-2-yl)sulfanyl]-1-(4,4,7,8-tetramethyl-1-thioxo-1,4-dihydro-5H-[1,2]dithiolo[3,4-c]quinolin-5-yl)ethanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[(4-methylpyrimidin-2-yl)sulfanyl]-1-(4,4,7,8-tetramethyl-1-thioxo-1,4-dihydro-5H-[1,2]dithiolo[3,4-c]quinolin-5-yl)ethanone?
Yes, KEHONG BIO provides custom synthesis services for 2-[(4-methylpyrimidin-2-yl)sulfanyl]-1-(4,4,7,8-tetramethyl-1-thioxo-1,4-dihydro-5H-[1,2]dithiolo[3,4-c]quinolin-5-yl)ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.