![8-chloro-5-(4-ethoxybenzoyl)-4,4-dimethyl-4,5-dihydro-1H-[1,2]dithiolo[3,4-c]quinoline-1-thione structure](/static/products/3534/353468-17-4.webp)
8-chloro-5-(4-ethoxybenzoyl)-4,4-dimethyl-4,5-dihydro-1H-[1,2]dithiolo[3,4-c]quinoline-1-thione
TL;DR: 8-chloro-5-(4-ethoxybenzoyl)-4,4-dimethyl-4,5-dihydro-1H-[1,2]dithiolo[3,4-c]quinoline-1-thione (CAS 353468-17-4) is a chemical compound with molecular formula C21H18ClNO2S3 and molecular weight 447.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(8-chloro-4,4-dimethyl-1-sulfanylidenedithiolo[3,4-c]quinolin-5-yl)-(4-ethoxyphenyl)methanone
Also Known As: 8-chloro-5-(4-ethoxybenzoyl)-4,4-dimethyl-4,5-dihydro-1H-[1,2]dithiolo[3,4-c]quinoline-1-thione, (8-chloro-4,4-dimethyl-1-sulfanylidenedithiolo[3,4-c]quinolin-5-yl)-(4-ethoxyphenyl)methanone, (8-chloro-4,4-dimethyl-1-thioxo-1,4-dihydro-5H-[1,2]dithiolo[3,4-c]quinolin-5-yl)(4-ethoxyphenyl)methanone
| Molecular Formula | C21H18ClNO2S3 |
|---|---|
| Molecular Weight | 447.02 g/mol |
| LogP | 7.15369 |
| Topological Polar Surface Area | 29.54 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 447.01883 |
| Heavy Atoms | 28 |
| Complexity | 1115.4246 |
Chemical Identifiers
| CAS Number | 353468-17-4 |
|---|---|
| SMILES | CCOC1=CC=C(C=C1)C(=O)N2C3=C(C=C(C=C3)Cl)C4=C(C2(C)C)SSC4=S |
Product Overview
8-chloro-5-(4-ethoxybenzoyl)-4,4-dimethyl-4,5-dihydro-1H-[1,2]dithiolo[3,4-c]quinoline-1-thione (CAS 353468-17-4), with molecular formula C21H18ClNO2S3 and molecular weight 447.02 g/mol. IUPAC: (8-chloro-4,4-dimethyl-1-sulfanylidenedithiolo[3,4-c]quinolin-5-yl)-(4-ethoxyphenyl)methanone.
Chemical Property Profile of 8-chloro-5-(4-ethoxybenzoyl)-4,4-dimethyl-4,5-dihydro-1H-[1,2]dithiolo[3,4-c]quinoline-1-thione
Property Insights of 8-chloro-5-(4-ethoxybenzoyl)-4,4-dimethyl-4,5-dihydro-1H-[1,2]dithiolo[3,4-c]quinoline-1-thione
The XLogP value of 7.15369 indicates that 8-chloro-5-(4-ethoxybenzoyl)-4,4-dimethyl-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 29.54 Ų, 8-chloro-5-(4-ethoxybenzoyl)-4,4-dimethyl-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, 8-chloro-5-(4-ethoxybenzoyl)-4,4-dimethyl-4,5-dihydro-1H-[1,2]dithiolo[3,4-c]quinoline-1-thione has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 8-chloro-5-(4-ethoxybenzoyl)-4,4-dimethyl-4,5-dihydro-1H-[1,2]dithiolo[3,4-c]quinoline-1-thione?
The CAS number of 8-chloro-5-(4-ethoxybenzoyl)-4,4-dimethyl-4,5-dihydro-1H-[1,2]dithiolo[3,4-c]quinoline-1-thione is 353468-17-4.
What is the molecular formula of 8-chloro-5-(4-ethoxybenzoyl)-4,4-dimethyl-4,5-dihydro-1H-[1,2]dithiolo[3,4-c]quinoline-1-thione?
The molecular formula of 8-chloro-5-(4-ethoxybenzoyl)-4,4-dimethyl-4,5-dihydro-1H-[1,2]dithiolo[3,4-c]quinoline-1-thione is C21H18ClNO2S3.
What is the molecular weight of 8-chloro-5-(4-ethoxybenzoyl)-4,4-dimethyl-4,5-dihydro-1H-[1,2]dithiolo[3,4-c]quinoline-1-thione?
The molecular weight of 8-chloro-5-(4-ethoxybenzoyl)-4,4-dimethyl-4,5-dihydro-1H-[1,2]dithiolo[3,4-c]quinoline-1-thione is 447.02 g/mol.
Where can I buy 8-chloro-5-(4-ethoxybenzoyl)-4,4-dimethyl-4,5-dihydro-1H-[1,2]dithiolo[3,4-c]quinoline-1-thione?
You can request a quote for 8-chloro-5-(4-ethoxybenzoyl)-4,4-dimethyl-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 8-chloro-5-(4-ethoxybenzoyl)-4,4-dimethyl-4,5-dihydro-1H-[1,2]dithiolo[3,4-c]quinoline-1-thione?
Yes, KEHONG BIO provides custom synthesis services for 8-chloro-5-(4-ethoxybenzoyl)-4,4-dimethyl-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.