![phenacyl-(4,4,8-trimethyl-5H-dithiolo[3,4-c]quinolin-1-ylidene)sulfanium bromide structure](/static/products/466/466683-69-2.png)
phenacyl-(4,4,8-trimethyl-5H-dithiolo[3,4-c]quinolin-1-ylidene)sulfanium bromide
TL;DR: phenacyl-(4,4,8-trimethyl-5H-dithiolo[3,4-c]quinolin-1-ylidene)sulfanium bromide (CAS 466683-69-2) is a chemical compound with molecular formula C21H20BrNOS3 and molecular weight 476.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-phenyl-2-[(4,4,8-trimethyl-5H-dithiolo[3,4-c]quinolin-2-ium-1-yl)sulfanyl]ethanone bromide
Also Known As: phenacyl-(4,4,8-trimethyl-5H-dithiolo[3,4-c]quinolin-1-ylidene)sulfanium bromide, 4,4,8-trimethyl-1-((2-oxo-2-phenylethyl)thio)-4,5-dihydro-[1,2]dithiolo[3,4-c]quinolin-2-ium bromide, 4,4,8-trimethyl-1-[(2-oxo-2-phenylethyl)thio]-4,5-dihydro[1,2]dithiolo[3,4-c]quinolin-2-ium bromide
| Molecular Formula | C21H20BrNOS3 |
|---|---|
| Molecular Weight | 476.99 g/mol |
| LogP | 3.70572 |
| Topological Polar Surface Area | 29.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 476.98904 |
| Heavy Atoms | 27 |
| Complexity | 982.34674 |
Chemical Identifiers
| CAS Number | 466683-69-2 |
|---|---|
| SMILES | CC1=CC2=C(C=C1)NC(C3=C2C(=[S+]S3)SCC(=O)C4=CC=CC=C4)(C)C.[Br-] |
Product Overview
phenacyl-(4,4,8-trimethyl-5H-dithiolo[3,4-c]quinolin-1-ylidene)sulfanium bromide (CAS 466683-69-2), with molecular formula C21H20BrNOS3 and molecular weight 476.99 g/mol. IUPAC: 1-phenyl-2-[(4,4,8-trimethyl-5H-dithiolo[3,4-c]quinolin-2-ium-1-yl)sulfanyl]ethanone bromide.
Chemical Property Profile of phenacyl-(4,4,8-trimethyl-5H-dithiolo[3,4-c]quinolin-1-ylidene)sulfanium bromide
Property Insights of phenacyl-(4,4,8-trimethyl-5H-dithiolo[3,4-c]quinolin-1-ylidene)sulfanium bromide
The XLogP value of 3.70572 indicates that phenacyl-(4,4,8-trimethyl-5H-dithiolo[3,4-c]quinolin-1-ylidene)sulfanium bromide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 29.1 Ų, phenacyl-(4,4,8-trimethyl-5H-dithiolo[3,4-c]quinolin-1-ylidene)sulfanium bromide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, phenacyl-(4,4,8-trimethyl-5H-dithiolo[3,4-c]quinolin-1-ylidene)sulfanium bromide has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of phenacyl-(4,4,8-trimethyl-5H-dithiolo[3,4-c]quinolin-1-ylidene)sulfanium bromide?
The CAS number of phenacyl-(4,4,8-trimethyl-5H-dithiolo[3,4-c]quinolin-1-ylidene)sulfanium bromide is 466683-69-2.
What is the molecular formula of phenacyl-(4,4,8-trimethyl-5H-dithiolo[3,4-c]quinolin-1-ylidene)sulfanium bromide?
The molecular formula of phenacyl-(4,4,8-trimethyl-5H-dithiolo[3,4-c]quinolin-1-ylidene)sulfanium bromide is C21H20BrNOS3.
What is the molecular weight of phenacyl-(4,4,8-trimethyl-5H-dithiolo[3,4-c]quinolin-1-ylidene)sulfanium bromide?
The molecular weight of phenacyl-(4,4,8-trimethyl-5H-dithiolo[3,4-c]quinolin-1-ylidene)sulfanium bromide is 476.99 g/mol.
Where can I buy phenacyl-(4,4,8-trimethyl-5H-dithiolo[3,4-c]quinolin-1-ylidene)sulfanium bromide?
You can request a quote for phenacyl-(4,4,8-trimethyl-5H-dithiolo[3,4-c]quinolin-1-ylidene)sulfanium bromide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for phenacyl-(4,4,8-trimethyl-5H-dithiolo[3,4-c]quinolin-1-ylidene)sulfanium bromide?
Yes, KEHONG BIO provides custom synthesis services for phenacyl-(4,4,8-trimethyl-5H-dithiolo[3,4-c]quinolin-1-ylidene)sulfanium bromide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.