![(2E)-3-(4-nitrophenyl)-1-(4,4,6-trimethyl-1-thioxo-1,4-dihydro-5H-[1,2]dithiolo[3,4-c]quinolin-5-yl)prop-2-en-1-one structure](/static/products/296/296272-41-8.png)
(2E)-3-(4-nitrophenyl)-1-(4,4,6-trimethyl-1-thioxo-1,4-dihydro-5H-[1,2]dithiolo[3,4-c]quinolin-5-yl)prop-2-en-1-one
TL;DR: (2E)-3-(4-nitrophenyl)-1-(4,4,6-trimethyl-1-thioxo-1,4-dihydro-5H-[1,2]dithiolo[3,4-c]quinolin-5-yl)prop-2-en-1-one (CAS 296272-41-8) is a chemical compound with molecular formula C22H18N2O3S3 and molecular weight 454.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-3-(4-nitrophenyl)-1-(4,4,6-trimethyl-1-sulfanylidenedithiolo[3,4-c]quinolin-5-yl)prop-2-en-1-one
Also Known As: (2E)-3-(4-nitrophenyl)-1-(4,4,6-trimethyl-1-thioxo-1,4-dihydro-5H-[1,2]dithiolo[3,4-c]quinolin-5-yl)prop-2-en-1-one, (E)-3-(4-nitrophenyl)-1-(4,4,6-trimethyl-1-sulfanylidenedithiolo[3,4-c]quinolin-5-yl)prop-2-en-1-one, (E)-3-(4-nitrophenyl)-1-(4,4,6-trimethyl-1-thioxo-1H-[1,2]dithiolo[3,4-c]quinolin-5(4H)-yl)prop-2-en-1-one
| Molecular Formula | C22H18N2O3S3 |
|---|---|
| Molecular Weight | 454.05 g/mol |
| LogP | 6.71781 |
| Topological Polar Surface Area | 63.45 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 454.04794 |
| Heavy Atoms | 30 |
| Complexity | 1253.3773 |
Chemical Identifiers
| CAS Number | 296272-41-8 |
|---|---|
| SMILES | CC1=C2C(=CC=C1)C3=C(C(N2C(=O)/C=C/C4=CC=C(C=C4)[N+](=O)[O-])(C)C)SSC3=S |
Product Overview
(2E)-3-(4-nitrophenyl)-1-(4,4,6-trimethyl-1-thioxo-1,4-dihydro-5H-[1,2]dithiolo[3,4-c]quinolin-5-yl)prop-2-en-1-one (CAS 296272-41-8), with molecular formula C22H18N2O3S3 and molecular weight 454.05 g/mol. IUPAC: (E)-3-(4-nitrophenyl)-1-(4,4,6-trimethyl-1-sulfanylidenedithiolo[3,4-c]quinolin-5-yl)prop-2-en-1-one.
Chemical Property Profile of (2E)-3-(4-nitrophenyl)-1-(4,4,6-trimethyl-1-thioxo-1,4-dihydro-5H-[1,2]dithiolo[3,4-c]quinolin-5-yl)prop-2-en-1-one
Property Insights of (2E)-3-(4-nitrophenyl)-1-(4,4,6-trimethyl-1-thioxo-1,4-dihydro-5H-[1,2]dithiolo[3,4-c]quinolin-5-yl)prop-2-en-1-one
The XLogP value of 6.71781 indicates that (2E)-3-(4-nitrophenyl)-1-(4,4,6-trimethyl-1-thioxo-1,4-dihydro-5H-[1,2]dithiolo[3,4-c]quinolin-5-yl)prop-2-en-1-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.45 Ų falls within the moderate polarity range, balancing permeability and solubility for (2E)-3-(4-nitrophenyl)-1-(4,4,6-trimethyl-1-thioxo-1,4-dihydro-5H-[1,2]dithiolo[3,4-c]quinolin-5-yl)prop-2-en-1-one. Following Lipinski's Rule of Five, (2E)-3-(4-nitrophenyl)-1-(4,4,6-trimethyl-1-thioxo-1,4-dihydro-5H-[1,2]dithiolo[3,4-c]quinolin-5-yl)prop-2-en-1-one 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 (2E)-3-(4-nitrophenyl)-1-(4,4,6-trimethyl-1-thioxo-1,4-dihydro-5H-[1,2]dithiolo[3,4-c]quinolin-5-yl)prop-2-en-1-one?
The CAS number of (2E)-3-(4-nitrophenyl)-1-(4,4,6-trimethyl-1-thioxo-1,4-dihydro-5H-[1,2]dithiolo[3,4-c]quinolin-5-yl)prop-2-en-1-one is 296272-41-8.
What is the molecular formula of (2E)-3-(4-nitrophenyl)-1-(4,4,6-trimethyl-1-thioxo-1,4-dihydro-5H-[1,2]dithiolo[3,4-c]quinolin-5-yl)prop-2-en-1-one?
The molecular formula of (2E)-3-(4-nitrophenyl)-1-(4,4,6-trimethyl-1-thioxo-1,4-dihydro-5H-[1,2]dithiolo[3,4-c]quinolin-5-yl)prop-2-en-1-one is C22H18N2O3S3.
What is the molecular weight of (2E)-3-(4-nitrophenyl)-1-(4,4,6-trimethyl-1-thioxo-1,4-dihydro-5H-[1,2]dithiolo[3,4-c]quinolin-5-yl)prop-2-en-1-one?
The molecular weight of (2E)-3-(4-nitrophenyl)-1-(4,4,6-trimethyl-1-thioxo-1,4-dihydro-5H-[1,2]dithiolo[3,4-c]quinolin-5-yl)prop-2-en-1-one is 454.05 g/mol.
Where can I buy (2E)-3-(4-nitrophenyl)-1-(4,4,6-trimethyl-1-thioxo-1,4-dihydro-5H-[1,2]dithiolo[3,4-c]quinolin-5-yl)prop-2-en-1-one?
You can request a quote for (2E)-3-(4-nitrophenyl)-1-(4,4,6-trimethyl-1-thioxo-1,4-dihydro-5H-[1,2]dithiolo[3,4-c]quinolin-5-yl)prop-2-en-1-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2E)-3-(4-nitrophenyl)-1-(4,4,6-trimethyl-1-thioxo-1,4-dihydro-5H-[1,2]dithiolo[3,4-c]quinolin-5-yl)prop-2-en-1-one?
Yes, KEHONG BIO provides custom synthesis services for (2E)-3-(4-nitrophenyl)-1-(4,4,6-trimethyl-1-thioxo-1,4-dihydro-5H-[1,2]dithiolo[3,4-c]quinolin-5-yl)prop-2-en-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.