![1-(dicyanomethylidene)-4,4,6-trimethyl-2-oxo-1,2-dihydro-4H-pyrrolo[3,2,1-ij]quinolin-8-yl (1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)acetate structure](/static/products/586/586995-43-9.png)
1-(dicyanomethylidene)-4,4,6-trimethyl-2-oxo-1,2-dihydro-4H-pyrrolo[3,2,1-ij]quinolin-8-yl (1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)acetate
TL;DR: 1-(dicyanomethylidene)-4,4,6-trimethyl-2-oxo-1,2-dihydro-4H-pyrrolo[3,2,1-ij]quinolin-8-yl (1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)acetate (CAS 586995-43-9) is a chemical compound with molecular formula C27H18N4O5 and molecular weight 478.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3-(dicyanomethylidene)-9,11,11-trimethyl-2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12),9-tetraen-6-yl] 2-(1,3-dioxoisoindol-2-yl)acetate
Also Known As: 1-(dicyanomethylidene)-4,4,6-trimethyl-2-oxo-1,2-dihydro-4H-pyrrolo[3,2,1-ij]quinolin-8-yl (1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)acetate, 1-(1-cyano-2-nitriloethylidene)-4,4,6-trimethyl-2-oxo-1,2-dihydro-4H-pyrrolo[3,2,1-ij]quinolin-8-yl 2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)acetate, 1-(dicyanomethylene)-4,4,6-trimethyl-2-oxo-2,4-dihydro-1H-pyrrolo[3,2,1-ij]quinolin-8-yl 2-(1,3-dioxoisoindolin-2-yl)acetate
| Molecular Formula | C27H18N4O5 |
|---|---|
| Molecular Weight | 478.13 g/mol |
| LogP | 3.23106 |
| Topological Polar Surface Area | 131.57 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 478.12772 |
| Heavy Atoms | 36 |
| Complexity | 1530.9886 |
Chemical Identifiers
| CAS Number | 586995-43-9 |
|---|---|
| SMILES | CC1=CC(N2C3=C1C=C(C=C3C(=C(C#N)C#N)C2=O)OC(=O)CN4C(=O)C5=CC=CC=C5C4=O)(C)C |
Product Overview
1-(dicyanomethylidene)-4,4,6-trimethyl-2-oxo-1,2-dihydro-4H-pyrrolo[3,2,1-ij]quinolin-8-yl (1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)acetate (CAS 586995-43-9), with molecular formula C27H18N4O5 and molecular weight 478.13 g/mol. IUPAC: [3-(dicyanomethylidene)-9,11,11-trimethyl-2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12),9-tetraen-6-yl] 2-(1,3-dioxoisoindol-2-yl)acetate.
Chemical Property Profile of 1-(dicyanomethylidene)-4,4,6-trimethyl-2-oxo-1,2-dihydro-4H-pyrrolo[3,2,1-ij]quinolin-8-yl (1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)acetate
Property Insights of 1-(dicyanomethylidene)-4,4,6-trimethyl-2-oxo-1,2-dihydro-4H-pyrrolo[3,2,1-ij]quinolin-8-yl (1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)acetate
The XLogP value of 3.23106 indicates that 1-(dicyanomethylidene)-4,4,6-trimethyl-2-oxo-1,2-dihydro-4H-pyrrolo[3,2,1-ij]quinolin-8-yl (1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 131.57 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(dicyanomethylidene)-4,4,6-trimethyl-2-oxo-1,2-dihydro-4H-pyrrolo[3,2,1-ij]quinolin-8-yl (1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)acetate. Following Lipinski's Rule of Five, 1-(dicyanomethylidene)-4,4,6-trimethyl-2-oxo-1,2-dihydro-4H-pyrrolo[3,2,1-ij]quinolin-8-yl (1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)acetate has 0 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 1-(dicyanomethylidene)-4,4,6-trimethyl-2-oxo-1,2-dihydro-4H-pyrrolo[3,2,1-ij]quinolin-8-yl (1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)acetate?
The CAS number of 1-(dicyanomethylidene)-4,4,6-trimethyl-2-oxo-1,2-dihydro-4H-pyrrolo[3,2,1-ij]quinolin-8-yl (1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)acetate is 586995-43-9.
What is the molecular formula of 1-(dicyanomethylidene)-4,4,6-trimethyl-2-oxo-1,2-dihydro-4H-pyrrolo[3,2,1-ij]quinolin-8-yl (1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)acetate?
The molecular formula of 1-(dicyanomethylidene)-4,4,6-trimethyl-2-oxo-1,2-dihydro-4H-pyrrolo[3,2,1-ij]quinolin-8-yl (1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)acetate is C27H18N4O5.
What is the molecular weight of 1-(dicyanomethylidene)-4,4,6-trimethyl-2-oxo-1,2-dihydro-4H-pyrrolo[3,2,1-ij]quinolin-8-yl (1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)acetate?
The molecular weight of 1-(dicyanomethylidene)-4,4,6-trimethyl-2-oxo-1,2-dihydro-4H-pyrrolo[3,2,1-ij]quinolin-8-yl (1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)acetate is 478.13 g/mol.
Where can I buy 1-(dicyanomethylidene)-4,4,6-trimethyl-2-oxo-1,2-dihydro-4H-pyrrolo[3,2,1-ij]quinolin-8-yl (1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)acetate?
You can request a quote for 1-(dicyanomethylidene)-4,4,6-trimethyl-2-oxo-1,2-dihydro-4H-pyrrolo[3,2,1-ij]quinolin-8-yl (1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(dicyanomethylidene)-4,4,6-trimethyl-2-oxo-1,2-dihydro-4H-pyrrolo[3,2,1-ij]quinolin-8-yl (1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)acetate?
Yes, KEHONG BIO provides custom synthesis services for 1-(dicyanomethylidene)-4,4,6-trimethyl-2-oxo-1,2-dihydro-4H-pyrrolo[3,2,1-ij]quinolin-8-yl (1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.