![4,4-dimethyl-1-thioxo-4,5-dihydro-1H-[1,2]dithiolo[3,4-c]quinolin-8-yl benzoate structure](/static/products/3333/333307-75-8.webp)
4,4-dimethyl-1-thioxo-4,5-dihydro-1H-[1,2]dithiolo[3,4-c]quinolin-8-yl benzoate
TL;DR: 4,4-dimethyl-1-thioxo-4,5-dihydro-1H-[1,2]dithiolo[3,4-c]quinolin-8-yl benzoate (CAS 333307-75-8) is a chemical compound with molecular formula C19H15NO2S3 and molecular weight 385.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4,4-dimethyl-1-sulfanylidene-5H-dithiolo[3,4-c]quinolin-8-yl) benzoate
Also Known As: 4,4-dimethyl-1-thioxo-4,5-dihydro-1H-[1,2]dithiolo[3,4-c]quinolin-8-yl benzoate, BAS 02101651, (4,4-dimethyl-1-sulfanylidene-5H-dithiolo[3,4-c]quinolin-8-yl) benzoate, (4,4-dimethyl-1-thioxo-5H-dithiolo[3,4-c]quinolin-8-yl) benzoate, 1H-[1,2]dithiolo[3,4-c]quinoline-1-thione, 8-(benzoyloxy)-4,5-dihydro-4,4-dimethyl-
| Molecular Formula | C19H15NO2S3 |
|---|---|
| Molecular Weight | 385.03 g/mol |
| LogP | 6.08589 |
| Topological Polar Surface Area | 38.33 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 385.0265 |
| Heavy Atoms | 25 |
| Complexity | 1018.6485 |
Chemical Identifiers
| CAS Number | 333307-75-8 |
|---|---|
| SMILES | CC1(C2=C(C3=C(N1)C=CC(=C3)OC(=O)C4=CC=CC=C4)C(=S)SS2)C |
Product Overview
4,4-dimethyl-1-thioxo-4,5-dihydro-1H-[1,2]dithiolo[3,4-c]quinolin-8-yl benzoate (CAS 333307-75-8), with molecular formula C19H15NO2S3 and molecular weight 385.03 g/mol. IUPAC: (4,4-dimethyl-1-sulfanylidene-5H-dithiolo[3,4-c]quinolin-8-yl) benzoate.
Chemical Property Profile of 4,4-dimethyl-1-thioxo-4,5-dihydro-1H-[1,2]dithiolo[3,4-c]quinolin-8-yl benzoate
Property Insights of 4,4-dimethyl-1-thioxo-4,5-dihydro-1H-[1,2]dithiolo[3,4-c]quinolin-8-yl benzoate
The XLogP value of 6.08589 indicates that 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 38.33 Ų, 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, 4,4-dimethyl-1-thioxo-4,5-dihydro-1H-[1,2]dithiolo[3,4-c]quinolin-8-yl benzoate has 1 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 4,4-dimethyl-1-thioxo-4,5-dihydro-1H-[1,2]dithiolo[3,4-c]quinolin-8-yl benzoate?
The CAS number of 4,4-dimethyl-1-thioxo-4,5-dihydro-1H-[1,2]dithiolo[3,4-c]quinolin-8-yl benzoate is 333307-75-8.
What is the molecular formula of 4,4-dimethyl-1-thioxo-4,5-dihydro-1H-[1,2]dithiolo[3,4-c]quinolin-8-yl benzoate?
The molecular formula of 4,4-dimethyl-1-thioxo-4,5-dihydro-1H-[1,2]dithiolo[3,4-c]quinolin-8-yl benzoate is C19H15NO2S3.
What is the molecular weight of 4,4-dimethyl-1-thioxo-4,5-dihydro-1H-[1,2]dithiolo[3,4-c]quinolin-8-yl benzoate?
The molecular weight of 4,4-dimethyl-1-thioxo-4,5-dihydro-1H-[1,2]dithiolo[3,4-c]quinolin-8-yl benzoate is 385.03 g/mol.
Where can I buy 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 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 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 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.