![(1Z)-4,4,6-trimethyl-2-oxo-1-(4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)-1,2-dihydro-4H-pyrrolo[3,2,1-ij]quinolin-8-yl acetate structure](/static/products/6505/650592-87-3.webp)
(1Z)-4,4,6-trimethyl-2-oxo-1-(4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)-1,2-dihydro-4H-pyrrolo[3,2,1-ij]quinolin-8-yl acetate
TL;DR: (1Z)-4,4,6-trimethyl-2-oxo-1-(4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)-1,2-dihydro-4H-pyrrolo[3,2,1-ij]quinolin-8-yl acetate (CAS 650592-87-3) is a chemical compound with molecular formula C19H16N2O4S2 and molecular weight 400.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(3Z)-9,11,11-trimethyl-2-oxo-3-(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12),9-tetraen-6-yl] acetate
Also Known As: (1Z)-4,4,6-trimethyl-2-oxo-1-(4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)-1,2-dihydro-4H-pyrrolo[3,2,1-ij]quinolin-8-yl acetate, (1Z)-4,4,6-trimethyl-2-oxo-1-(4-oxo-2-sulfanyl-1,3-thiazol-5(4H)-ylidene)-1,2-dihydro-4H-pyrrolo[3,2,1-ij]quinolin-8-yl acetate, (Z)-4,4,6-trimethyl-2-oxo-1-(4-oxo-2-thioxothiazolidin-5-ylidene)-2,4-dihydro-1H-pyrrolo[3,2,1-ij]quinolin-8-yl acetate, 4,4,6-trimethyl-2-oxo-1-(4-oxo-2-thioxo-1,3-thiazolan-5-yliden)-4H-pyrrolo[3,2,1-ij]quinolin-8(2H)-yl acetate, Acetic acid 4,4,6-trimethyl-2-oxo-1-[4-oxo-2-thioxo-thiazolidin-(5Z)-ylidene]-1,2-dihydro-4H-pyrrolo[3,2,1-ij]quinolin- 8-yl ester
| Molecular Formula | C19H16N2O4S2 |
|---|---|
| Molecular Weight | 400.06 g/mol |
| LogP | 3.013 |
| Topological Polar Surface Area | 75.71 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 1 |
| Exact Mass | 400.05515 |
| Heavy Atoms | 27 |
| Complexity | 1036.3904 |
Chemical Identifiers
| CAS Number | 650592-87-3 |
|---|---|
| SMILES | CC1=CC(N2C3=C1C=C(C=C3/C(=C/4\C(=O)NC(=S)S4)/C2=O)OC(=O)C)(C)C |
Product Overview
(1Z)-4,4,6-trimethyl-2-oxo-1-(4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)-1,2-dihydro-4H-pyrrolo[3,2,1-ij]quinolin-8-yl acetate (CAS 650592-87-3), with molecular formula C19H16N2O4S2 and molecular weight 400.06 g/mol. IUPAC: [(3Z)-9,11,11-trimethyl-2-oxo-3-(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12),9-tetraen-6-yl] acetate.
Chemical Property Profile of (1Z)-4,4,6-trimethyl-2-oxo-1-(4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)-1,2-dihydro-4H-pyrrolo[3,2,1-ij]quinolin-8-yl acetate
Property Insights of (1Z)-4,4,6-trimethyl-2-oxo-1-(4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)-1,2-dihydro-4H-pyrrolo[3,2,1-ij]quinolin-8-yl acetate
The XLogP value of 3.013 indicates that (1Z)-4,4,6-trimethyl-2-oxo-1-(4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)-1,2-dihydro-4H-pyrrolo[3,2,1-ij]quinolin-8-yl acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 75.71 Ų falls within the moderate polarity range, balancing permeability and solubility for (1Z)-4,4,6-trimethyl-2-oxo-1-(4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)-1,2-dihydro-4H-pyrrolo[3,2,1-ij]quinolin-8-yl acetate. Following Lipinski's Rule of Five, (1Z)-4,4,6-trimethyl-2-oxo-1-(4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)-1,2-dihydro-4H-pyrrolo[3,2,1-ij]quinolin-8-yl acetate has 1 hydrogen bond donor(s) and 6 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 (1Z)-4,4,6-trimethyl-2-oxo-1-(4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)-1,2-dihydro-4H-pyrrolo[3,2,1-ij]quinolin-8-yl acetate?
The CAS number of (1Z)-4,4,6-trimethyl-2-oxo-1-(4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)-1,2-dihydro-4H-pyrrolo[3,2,1-ij]quinolin-8-yl acetate is 650592-87-3.
What is the molecular formula of (1Z)-4,4,6-trimethyl-2-oxo-1-(4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)-1,2-dihydro-4H-pyrrolo[3,2,1-ij]quinolin-8-yl acetate?
The molecular formula of (1Z)-4,4,6-trimethyl-2-oxo-1-(4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)-1,2-dihydro-4H-pyrrolo[3,2,1-ij]quinolin-8-yl acetate is C19H16N2O4S2.
What is the molecular weight of (1Z)-4,4,6-trimethyl-2-oxo-1-(4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)-1,2-dihydro-4H-pyrrolo[3,2,1-ij]quinolin-8-yl acetate?
The molecular weight of (1Z)-4,4,6-trimethyl-2-oxo-1-(4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)-1,2-dihydro-4H-pyrrolo[3,2,1-ij]quinolin-8-yl acetate is 400.06 g/mol.
Where can I buy (1Z)-4,4,6-trimethyl-2-oxo-1-(4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)-1,2-dihydro-4H-pyrrolo[3,2,1-ij]quinolin-8-yl acetate?
You can request a quote for (1Z)-4,4,6-trimethyl-2-oxo-1-(4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)-1,2-dihydro-4H-pyrrolo[3,2,1-ij]quinolin-8-yl acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (1Z)-4,4,6-trimethyl-2-oxo-1-(4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)-1,2-dihydro-4H-pyrrolo[3,2,1-ij]quinolin-8-yl acetate?
Yes, KEHONG BIO provides custom synthesis services for (1Z)-4,4,6-trimethyl-2-oxo-1-(4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)-1,2-dihydro-4H-pyrrolo[3,2,1-ij]quinolin-8-yl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.