![(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 thiophene-2-carboxylate structure](/static/products/6505/650592-88-4.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 thiophene-2-carboxylate
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 thiophene-2-carboxylate (CAS 650592-88-4) is a chemical compound with molecular formula C22H16N2O4S3 and molecular weight 468.03 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] thiophene-2-carboxylate
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 thiophene-2-carboxylate, (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 thiophene-2-carboxylate, (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 thiophene-2-carboxylate, 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 2-thiophenecarboxylate
| Molecular Formula | C22H16N2O4S3 |
|---|---|
| Molecular Weight | 468.03 g/mol |
| LogP | 4.3684 |
| Topological Polar Surface Area | 75.71 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 2 |
| Exact Mass | 468.02722 |
| Heavy Atoms | 31 |
| Complexity | 1271.9194 |
Chemical Identifiers
| CAS Number | 650592-88-4 |
|---|---|
| SMILES | CC1=CC(N2C3=C1C=C(C=C3/C(=C/4\C(=O)NC(=S)S4)/C2=O)OC(=O)C5=CC=CS5)(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 thiophene-2-carboxylate (CAS 650592-88-4), with molecular formula C22H16N2O4S3 and molecular weight 468.03 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] thiophene-2-carboxylate.
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 thiophene-2-carboxylate
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 thiophene-2-carboxylate
The XLogP value of 4.3684 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 thiophene-2-carboxylate 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 thiophene-2-carboxylate. 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 thiophene-2-carboxylate has 1 hydrogen bond donor(s) and 7 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 thiophene-2-carboxylate?
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 thiophene-2-carboxylate is 650592-88-4.
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 thiophene-2-carboxylate?
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 thiophene-2-carboxylate is C22H16N2O4S3.
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 thiophene-2-carboxylate?
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 thiophene-2-carboxylate is 468.03 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 thiophene-2-carboxylate?
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 thiophene-2-carboxylate 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 thiophene-2-carboxylate?
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 thiophene-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.