![5-benzoyl-4,4-dimethyl-1-thioxo-4,5-dihydro-1H-[1,2]dithiolo[3,4-c]quinolin-8-yl benzoate structure](/static/products/3724/372499-80-4.webp)
5-benzoyl-4,4-dimethyl-1-thioxo-4,5-dihydro-1H-[1,2]dithiolo[3,4-c]quinolin-8-yl benzoate
TL;DR: 5-benzoyl-4,4-dimethyl-1-thioxo-4,5-dihydro-1H-[1,2]dithiolo[3,4-c]quinolin-8-yl benzoate (CAS 372499-80-4) is a chemical compound with molecular formula C26H19NO3S3 and molecular weight 489.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5-benzoyl-4,4-dimethyl-1-sulfanylidenedithiolo[3,4-c]quinolin-8-yl) benzoate
Also Known As: 5-benzoyl-4,4-dimethyl-1-thioxo-4,5-dihydro-1H-[1,2]dithiolo[3,4-c]quinolin-8-yl benzoate, 4,4-dimethyl-5-(phenylcarbonyl)-1-thioxo-4,5-dihydro-1H-[1,2]dithiolo[3,4-c]quinolin-8-yl benzoate, (5-benzoyl-4,4-dimethyl-1-sulfanylidenedithiolo[3,4-c]quinolin-8-yl) benzoate, 5-BENZOYL-4,4-DIMETHYL-1-SULFANYLIDENE-[1,2]DITHIOLO[3,4-C]QUINOLIN-8-YL BENZOATE, 4,4-dimethyl-5-(phenylcarbonyl)-1-thioxo-4,5-dihydro-1,2-dithioleno[5,4-c]quin olin-8-yl benzoate
| Molecular Formula | C26H19NO3S3 |
|---|---|
| Molecular Weight | 489.05 g/mol |
| LogP | 7.32079 |
| Topological Polar Surface Area | 46.61 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 489.0527 |
| Heavy Atoms | 33 |
| Complexity | 1422.1799 |
Chemical Identifiers
| CAS Number | 372499-80-4 |
|---|---|
| SMILES | CC1(C2=C(C3=C(N1C(=O)C4=CC=CC=C4)C=CC(=C3)OC(=O)C5=CC=CC=C5)C(=S)SS2)C |
Product Overview
5-benzoyl-4,4-dimethyl-1-thioxo-4,5-dihydro-1H-[1,2]dithiolo[3,4-c]quinolin-8-yl benzoate (CAS 372499-80-4), with molecular formula C26H19NO3S3 and molecular weight 489.05 g/mol. IUPAC: (5-benzoyl-4,4-dimethyl-1-sulfanylidenedithiolo[3,4-c]quinolin-8-yl) benzoate.
Chemical Property Profile of 5-benzoyl-4,4-dimethyl-1-thioxo-4,5-dihydro-1H-[1,2]dithiolo[3,4-c]quinolin-8-yl benzoate
Property Insights of 5-benzoyl-4,4-dimethyl-1-thioxo-4,5-dihydro-1H-[1,2]dithiolo[3,4-c]quinolin-8-yl benzoate
The XLogP value of 7.32079 indicates that 5-benzoyl-4,4-dimethyl-1-thioxo-4,5-dihydro-1H-[1,2]dithiolo[3,4-c]quinolin-8-yl benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.61 Ų, 5-benzoyl-4,4-dimethyl-1-thioxo-4,5-dihydro-1H-[1,2]dithiolo[3,4-c]quinolin-8-yl benzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-benzoyl-4,4-dimethyl-1-thioxo-4,5-dihydro-1H-[1,2]dithiolo[3,4-c]quinolin-8-yl benzoate has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 5-benzoyl-4,4-dimethyl-1-thioxo-4,5-dihydro-1H-[1,2]dithiolo[3,4-c]quinolin-8-yl benzoate?
The CAS number of 5-benzoyl-4,4-dimethyl-1-thioxo-4,5-dihydro-1H-[1,2]dithiolo[3,4-c]quinolin-8-yl benzoate is 372499-80-4.
What is the molecular formula of 5-benzoyl-4,4-dimethyl-1-thioxo-4,5-dihydro-1H-[1,2]dithiolo[3,4-c]quinolin-8-yl benzoate?
The molecular formula of 5-benzoyl-4,4-dimethyl-1-thioxo-4,5-dihydro-1H-[1,2]dithiolo[3,4-c]quinolin-8-yl benzoate is C26H19NO3S3.
What is the molecular weight of 5-benzoyl-4,4-dimethyl-1-thioxo-4,5-dihydro-1H-[1,2]dithiolo[3,4-c]quinolin-8-yl benzoate?
The molecular weight of 5-benzoyl-4,4-dimethyl-1-thioxo-4,5-dihydro-1H-[1,2]dithiolo[3,4-c]quinolin-8-yl benzoate is 489.05 g/mol.
Where can I buy 5-benzoyl-4,4-dimethyl-1-thioxo-4,5-dihydro-1H-[1,2]dithiolo[3,4-c]quinolin-8-yl benzoate?
You can request a quote for 5-benzoyl-4,4-dimethyl-1-thioxo-4,5-dihydro-1H-[1,2]dithiolo[3,4-c]quinolin-8-yl benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-benzoyl-4,4-dimethyl-1-thioxo-4,5-dihydro-1H-[1,2]dithiolo[3,4-c]quinolin-8-yl benzoate?
Yes, KEHONG BIO provides custom synthesis services for 5-benzoyl-4,4-dimethyl-1-thioxo-4,5-dihydro-1H-[1,2]dithiolo[3,4-c]quinolin-8-yl benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.