![4,4-dimethyl-1-thioxo-4,5-dihydro-1H-[1,2]dithiolo[3,4-c]quinolin-8-yl 4-bromobenzoate structure](/static/products/374/374100-66-0.png)
4,4-dimethyl-1-thioxo-4,5-dihydro-1H-[1,2]dithiolo[3,4-c]quinolin-8-yl 4-bromobenzoate
TL;DR: 4,4-dimethyl-1-thioxo-4,5-dihydro-1H-[1,2]dithiolo[3,4-c]quinolin-8-yl 4-bromobenzoate (CAS 374100-66-0) is a chemical compound with molecular formula C19H14BrNO2S3 and molecular weight 462.94 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) 4-bromobenzoate
Also Known As: 4,4-dimethyl-1-thioxo-4,5-dihydro-1H-[1,2]dithiolo[3,4-c]quinolin-8-yl 4-bromobenzoate, (4,4-dimethyl-1-sulfanylidene-5H-dithiolo[3,4-c]quinolin-8-yl) 4-bromobenzoate
| Molecular Formula | C19H14BrNO2S3 |
|---|---|
| Molecular Weight | 462.94 g/mol |
| LogP | 6.84839 |
| Topological Polar Surface Area | 38.33 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 462.937 |
| Heavy Atoms | 26 |
| Complexity | 1067.1334 |
Chemical Identifiers
| CAS Number | 374100-66-0 |
|---|---|
| SMILES | CC1(C2=C(C3=C(N1)C=CC(=C3)OC(=O)C4=CC=C(C=C4)Br)C(=S)SS2)C |
Product Overview
4,4-dimethyl-1-thioxo-4,5-dihydro-1H-[1,2]dithiolo[3,4-c]quinolin-8-yl 4-bromobenzoate (CAS 374100-66-0), with molecular formula C19H14BrNO2S3 and molecular weight 462.94 g/mol. IUPAC: (4,4-dimethyl-1-sulfanylidene-5H-dithiolo[3,4-c]quinolin-8-yl) 4-bromobenzoate.
Chemical Property Profile of 4,4-dimethyl-1-thioxo-4,5-dihydro-1H-[1,2]dithiolo[3,4-c]quinolin-8-yl 4-bromobenzoate
Property Insights of 4,4-dimethyl-1-thioxo-4,5-dihydro-1H-[1,2]dithiolo[3,4-c]quinolin-8-yl 4-bromobenzoate
The XLogP value of 6.84839 indicates that 4,4-dimethyl-1-thioxo-4,5-dihydro-1H-[1,2]dithiolo[3,4-c]quinolin-8-yl 4-bromobenzoate 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 4-bromobenzoate 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 4-bromobenzoate 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 4-bromobenzoate?
The CAS number of 4,4-dimethyl-1-thioxo-4,5-dihydro-1H-[1,2]dithiolo[3,4-c]quinolin-8-yl 4-bromobenzoate is 374100-66-0.
What is the molecular formula of 4,4-dimethyl-1-thioxo-4,5-dihydro-1H-[1,2]dithiolo[3,4-c]quinolin-8-yl 4-bromobenzoate?
The molecular formula of 4,4-dimethyl-1-thioxo-4,5-dihydro-1H-[1,2]dithiolo[3,4-c]quinolin-8-yl 4-bromobenzoate is C19H14BrNO2S3.
What is the molecular weight of 4,4-dimethyl-1-thioxo-4,5-dihydro-1H-[1,2]dithiolo[3,4-c]quinolin-8-yl 4-bromobenzoate?
The molecular weight of 4,4-dimethyl-1-thioxo-4,5-dihydro-1H-[1,2]dithiolo[3,4-c]quinolin-8-yl 4-bromobenzoate is 462.94 g/mol.
Where can I buy 4,4-dimethyl-1-thioxo-4,5-dihydro-1H-[1,2]dithiolo[3,4-c]quinolin-8-yl 4-bromobenzoate?
You can request a quote for 4,4-dimethyl-1-thioxo-4,5-dihydro-1H-[1,2]dithiolo[3,4-c]quinolin-8-yl 4-bromobenzoate 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 4-bromobenzoate?
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 4-bromobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.