![4,4-dimethyl-5-(2-phenylbutanoyl)-4,5-dihydro-1H-[1,2]dithiolo[3,4-c]quinoline-1-thione structure](/static/products/6674/667404-23-1.webp)
4,4-dimethyl-5-(2-phenylbutanoyl)-4,5-dihydro-1H-[1,2]dithiolo[3,4-c]quinoline-1-thione
TL;DR: 4,4-dimethyl-5-(2-phenylbutanoyl)-4,5-dihydro-1H-[1,2]dithiolo[3,4-c]quinoline-1-thione (CAS 667404-23-1) is a chemical compound with molecular formula C22H21NOS3 and molecular weight 411.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4,4-dimethyl-1-sulfanylidenedithiolo[3,4-c]quinolin-5-yl)-2-phenylbutan-1-one
Also Known As: 4,4-dimethyl-5-(2-phenylbutanoyl)-4,5-dihydro-1H-[1,2]dithiolo[3,4-c]quinoline-1-thione, 1-(4,4-dimethyl-1-sulfanylidenedithiolo[3,4-c]quinolin-5-yl)-2-phenylbutan-1-one, 1-(4,4-dimethyl-1-thioxo(4,5-dihydro-1,2-dithioleno[5,4-c]quinolin-5-yl))-2-ph enylbutan-1-one, 1-(4,4-dimethyl-1-thioxo-1,4-dihydro-5H-[1,2]dithiolo[3,4-c]quinolin-5-yl)-2-phenylbutan-1-one, 1-{4,4-dimethyl-1-sulfanylidene-1H,4H,5H-[1,2]dithiolo[3,4-c]quinolin-5-yl}-2-phenylbutan-1-one
| Molecular Formula | C22H21NOS3 |
|---|---|
| Molecular Weight | 411.08 g/mol |
| LogP | 6.98159 |
| Topological Polar Surface Area | 20.31 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 411.07852 |
| Heavy Atoms | 27 |
| Complexity | 1048.6748 |
Chemical Identifiers
| CAS Number | 667404-23-1 |
|---|---|
| SMILES | CCC(C1=CC=CC=C1)C(=O)N2C3=CC=CC=C3C4=C(C2(C)C)SSC4=S |
Product Overview
4,4-dimethyl-5-(2-phenylbutanoyl)-4,5-dihydro-1H-[1,2]dithiolo[3,4-c]quinoline-1-thione (CAS 667404-23-1), with molecular formula C22H21NOS3 and molecular weight 411.08 g/mol. IUPAC: 1-(4,4-dimethyl-1-sulfanylidenedithiolo[3,4-c]quinolin-5-yl)-2-phenylbutan-1-one.
Chemical Property Profile of 4,4-dimethyl-5-(2-phenylbutanoyl)-4,5-dihydro-1H-[1,2]dithiolo[3,4-c]quinoline-1-thione
Property Insights of 4,4-dimethyl-5-(2-phenylbutanoyl)-4,5-dihydro-1H-[1,2]dithiolo[3,4-c]quinoline-1-thione
The XLogP value of 6.98159 indicates that 4,4-dimethyl-5-(2-phenylbutanoyl)-4,5-dihydro-1H-[1,2]dithiolo[3,4-c]quinoline-1-thione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 20.31 Ų, 4,4-dimethyl-5-(2-phenylbutanoyl)-4,5-dihydro-1H-[1,2]dithiolo[3,4-c]quinoline-1-thione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4,4-dimethyl-5-(2-phenylbutanoyl)-4,5-dihydro-1H-[1,2]dithiolo[3,4-c]quinoline-1-thione has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4,4-dimethyl-5-(2-phenylbutanoyl)-4,5-dihydro-1H-[1,2]dithiolo[3,4-c]quinoline-1-thione?
The CAS number of 4,4-dimethyl-5-(2-phenylbutanoyl)-4,5-dihydro-1H-[1,2]dithiolo[3,4-c]quinoline-1-thione is 667404-23-1.
What is the molecular formula of 4,4-dimethyl-5-(2-phenylbutanoyl)-4,5-dihydro-1H-[1,2]dithiolo[3,4-c]quinoline-1-thione?
The molecular formula of 4,4-dimethyl-5-(2-phenylbutanoyl)-4,5-dihydro-1H-[1,2]dithiolo[3,4-c]quinoline-1-thione is C22H21NOS3.
What is the molecular weight of 4,4-dimethyl-5-(2-phenylbutanoyl)-4,5-dihydro-1H-[1,2]dithiolo[3,4-c]quinoline-1-thione?
The molecular weight of 4,4-dimethyl-5-(2-phenylbutanoyl)-4,5-dihydro-1H-[1,2]dithiolo[3,4-c]quinoline-1-thione is 411.08 g/mol.
Where can I buy 4,4-dimethyl-5-(2-phenylbutanoyl)-4,5-dihydro-1H-[1,2]dithiolo[3,4-c]quinoline-1-thione?
You can request a quote for 4,4-dimethyl-5-(2-phenylbutanoyl)-4,5-dihydro-1H-[1,2]dithiolo[3,4-c]quinoline-1-thione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4,4-dimethyl-5-(2-phenylbutanoyl)-4,5-dihydro-1H-[1,2]dithiolo[3,4-c]quinoline-1-thione?
Yes, KEHONG BIO provides custom synthesis services for 4,4-dimethyl-5-(2-phenylbutanoyl)-4,5-dihydro-1H-[1,2]dithiolo[3,4-c]quinoline-1-thione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.