![dimethyl 2-(4,4,8,9-tetramethyl-1,2-dioxo-5-thioxo-1,2,4,5-tetrahydro-6H-pyrrolo[3,2,1-ij]quinolin-6-ylidene)-1,3-dithiole-4,5-dicarboxylate structure](/static/products/4972/497243-98-8.webp)
dimethyl 2-(4,4,8,9-tetramethyl-1,2-dioxo-5-thioxo-1,2,4,5-tetrahydro-6H-pyrrolo[3,2,1-ij]quinolin-6-ylidene)-1,3-dithiole-4,5-dicarboxylate
TL;DR: dimethyl 2-(4,4,8,9-tetramethyl-1,2-dioxo-5-thioxo-1,2,4,5-tetrahydro-6H-pyrrolo[3,2,1-ij]quinolin-6-ylidene)-1,3-dithiole-4,5-dicarboxylate (CAS 497243-98-8) is a chemical compound with molecular formula C22H19NO6S3 and molecular weight 489.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 2-(5,6,11,11-tetramethyl-2,3-dioxo-10-sulfanylidene-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-9-ylidene)-1,3-dithiole-4,5-dicarboxylate
Also Known As: dimethyl 2-(4,4,8,9-tetramethyl-1,2-dioxo-5-thioxo-1,2,4,5-tetrahydro-6H-pyrrolo[3,2,1-ij]quinolin-6-ylidene)-1,3-dithiole-4,5-dicarboxylate, DIMETHYL 2-(4,4,8,9-TETRAMETHYL-1,2-DIOXO-5-THIOXO-1,2,4,5-TETRAHYDRO-6H-PYRROLO[3,2,1-IJ]QUINOLIN-6-YLIDEN)-1,3-DITHIOLE-4,5-DICARBOXYLATE, dimethyl 2-(4,4,8,9-tetramethyl-1,2-dioxo-5-thioxo-4,5-dihydro-1H-pyrrolo[3,2,1-ij]quinolin-6(2H)-ylidene)-1,3-dithiole-4,5-dicarboxylate
| Molecular Formula | C22H19NO6S3 |
|---|---|
| Molecular Weight | 489.04 g/mol |
| LogP | 3.70104 |
| Topological Polar Surface Area | 89.98 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 2 |
| Exact Mass | 489.03745 |
| Heavy Atoms | 32 |
| Complexity | 1210.5432 |
Chemical Identifiers
| CAS Number | 497243-98-8 |
|---|---|
| SMILES | CC1=CC2=C3C(=C1C)C(=O)C(=O)N3C(C(=S)C2=C4SC(=C(S4)C(=O)OC)C(=O)OC)(C)C |
Product Overview
dimethyl 2-(4,4,8,9-tetramethyl-1,2-dioxo-5-thioxo-1,2,4,5-tetrahydro-6H-pyrrolo[3,2,1-ij]quinolin-6-ylidene)-1,3-dithiole-4,5-dicarboxylate (CAS 497243-98-8), with molecular formula C22H19NO6S3 and molecular weight 489.04 g/mol. IUPAC: dimethyl 2-(5,6,11,11-tetramethyl-2,3-dioxo-10-sulfanylidene-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-9-ylidene)-1,3-dithiole-4,5-dicarboxylate.
Chemical Property Profile of dimethyl 2-(4,4,8,9-tetramethyl-1,2-dioxo-5-thioxo-1,2,4,5-tetrahydro-6H-pyrrolo[3,2,1-ij]quinolin-6-ylidene)-1,3-dithiole-4,5-dicarboxylate
Property Insights of dimethyl 2-(4,4,8,9-tetramethyl-1,2-dioxo-5-thioxo-1,2,4,5-tetrahydro-6H-pyrrolo[3,2,1-ij]quinolin-6-ylidene)-1,3-dithiole-4,5-dicarboxylate
The XLogP value of 3.70104 indicates that dimethyl 2-(4,4,8,9-tetramethyl-1,2-dioxo-5-thioxo-1,2,4,5-tetrahydro-6H-pyrrolo[3,2,1-ij]quinolin-6-ylidene)-1,3-dithiole-4,5-dicarboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 89.98 Ų falls within the moderate polarity range, balancing permeability and solubility for dimethyl 2-(4,4,8,9-tetramethyl-1,2-dioxo-5-thioxo-1,2,4,5-tetrahydro-6H-pyrrolo[3,2,1-ij]quinolin-6-ylidene)-1,3-dithiole-4,5-dicarboxylate. Following Lipinski's Rule of Five, dimethyl 2-(4,4,8,9-tetramethyl-1,2-dioxo-5-thioxo-1,2,4,5-tetrahydro-6H-pyrrolo[3,2,1-ij]quinolin-6-ylidene)-1,3-dithiole-4,5-dicarboxylate has 0 hydrogen bond donor(s) and 9 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 dimethyl 2-(4,4,8,9-tetramethyl-1,2-dioxo-5-thioxo-1,2,4,5-tetrahydro-6H-pyrrolo[3,2,1-ij]quinolin-6-ylidene)-1,3-dithiole-4,5-dicarboxylate?
The CAS number of dimethyl 2-(4,4,8,9-tetramethyl-1,2-dioxo-5-thioxo-1,2,4,5-tetrahydro-6H-pyrrolo[3,2,1-ij]quinolin-6-ylidene)-1,3-dithiole-4,5-dicarboxylate is 497243-98-8.
What is the molecular formula of dimethyl 2-(4,4,8,9-tetramethyl-1,2-dioxo-5-thioxo-1,2,4,5-tetrahydro-6H-pyrrolo[3,2,1-ij]quinolin-6-ylidene)-1,3-dithiole-4,5-dicarboxylate?
The molecular formula of dimethyl 2-(4,4,8,9-tetramethyl-1,2-dioxo-5-thioxo-1,2,4,5-tetrahydro-6H-pyrrolo[3,2,1-ij]quinolin-6-ylidene)-1,3-dithiole-4,5-dicarboxylate is C22H19NO6S3.
What is the molecular weight of dimethyl 2-(4,4,8,9-tetramethyl-1,2-dioxo-5-thioxo-1,2,4,5-tetrahydro-6H-pyrrolo[3,2,1-ij]quinolin-6-ylidene)-1,3-dithiole-4,5-dicarboxylate?
The molecular weight of dimethyl 2-(4,4,8,9-tetramethyl-1,2-dioxo-5-thioxo-1,2,4,5-tetrahydro-6H-pyrrolo[3,2,1-ij]quinolin-6-ylidene)-1,3-dithiole-4,5-dicarboxylate is 489.04 g/mol.
Where can I buy dimethyl 2-(4,4,8,9-tetramethyl-1,2-dioxo-5-thioxo-1,2,4,5-tetrahydro-6H-pyrrolo[3,2,1-ij]quinolin-6-ylidene)-1,3-dithiole-4,5-dicarboxylate?
You can request a quote for dimethyl 2-(4,4,8,9-tetramethyl-1,2-dioxo-5-thioxo-1,2,4,5-tetrahydro-6H-pyrrolo[3,2,1-ij]quinolin-6-ylidene)-1,3-dithiole-4,5-dicarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for dimethyl 2-(4,4,8,9-tetramethyl-1,2-dioxo-5-thioxo-1,2,4,5-tetrahydro-6H-pyrrolo[3,2,1-ij]quinolin-6-ylidene)-1,3-dithiole-4,5-dicarboxylate?
Yes, KEHONG BIO provides custom synthesis services for dimethyl 2-(4,4,8,9-tetramethyl-1,2-dioxo-5-thioxo-1,2,4,5-tetrahydro-6H-pyrrolo[3,2,1-ij]quinolin-6-ylidene)-1,3-dithiole-4,5-dicarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.