![1-(dicyanomethylene)-4,4,6-trimethyl-2-oxo-1,2-dihydro-4H-pyrrolo[3,2,1-ij]quinolin-8-yl 3,4,5-trimethoxybenzoate structure](/static/products/6897/689754-64-1.webp)
1-(dicyanomethylene)-4,4,6-trimethyl-2-oxo-1,2-dihydro-4H-pyrrolo[3,2,1-ij]quinolin-8-yl 3,4,5-trimethoxybenzoate
TL;DR: 1-(dicyanomethylene)-4,4,6-trimethyl-2-oxo-1,2-dihydro-4H-pyrrolo[3,2,1-ij]quinolin-8-yl 3,4,5-trimethoxybenzoate (CAS 689754-64-1) is a chemical compound with molecular formula C27H23N3O6 and molecular weight 485.16 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] 3,4,5-trimethoxybenzoate
Also Known As: 1-(dicyanomethylene)-4,4,6-trimethyl-2-oxo-1,2-dihydro-4H-pyrrolo[3,2,1-ij]quinolin-8-yl 3,4,5-trimethoxybenzoate, [3-(Dicyanomethylidene)-9,11,11-trimethyl-2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12),9-tetraen-6-yl] 3,4,5-trimethoxybenzoate, benzoic acid, 3,4,5-trimethoxy-, 1-(dicyanomethylene)-1,2-dihydro-4,4,6-trimethyl-2-oxo-4H-pyrrolo[3,2,1-ij]quinolin-8-yl ester, 1-(dicyanomethylene)-4,4,6-trimethyl-2-oxo-1,2-dihydro-4H-pyrrolo[3,2,1-ij]quinolin-8-yl3,4,5-trimethoxybenzoate, 1-(Dicyanomethylene)-4,4,6-trimethyl-2-oxo-1,2-dihydro-4H-pyrrolo3,2,1-ijquinolin-8-yl 3,4,5-trimethoxybenzoate
| Molecular Formula | C27H23N3O6 |
|---|---|
| Molecular Weight | 485.16 g/mol |
| LogP | 4.27446 |
| Topological Polar Surface Area | 121.88 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 485.1587 |
| Heavy Atoms | 36 |
| Complexity | 1428.5424 |
Chemical Identifiers
| CAS Number | 689754-64-1 |
|---|---|
| SMILES | CC1=CC(N2C3=C1C=C(C=C3C(=C(C#N)C#N)C2=O)OC(=O)C4=CC(=C(C(=C4)OC)OC)OC)(C)C |
Product Overview
1-(dicyanomethylene)-4,4,6-trimethyl-2-oxo-1,2-dihydro-4H-pyrrolo[3,2,1-ij]quinolin-8-yl 3,4,5-trimethoxybenzoate (CAS 689754-64-1), with molecular formula C27H23N3O6 and molecular weight 485.16 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] 3,4,5-trimethoxybenzoate.
Chemical Property Profile of 1-(dicyanomethylene)-4,4,6-trimethyl-2-oxo-1,2-dihydro-4H-pyrrolo[3,2,1-ij]quinolin-8-yl 3,4,5-trimethoxybenzoate
Property Insights of 1-(dicyanomethylene)-4,4,6-trimethyl-2-oxo-1,2-dihydro-4H-pyrrolo[3,2,1-ij]quinolin-8-yl 3,4,5-trimethoxybenzoate
The XLogP value of 4.27446 indicates that 1-(dicyanomethylene)-4,4,6-trimethyl-2-oxo-1,2-dihydro-4H-pyrrolo[3,2,1-ij]quinolin-8-yl 3,4,5-trimethoxybenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 121.88 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(dicyanomethylene)-4,4,6-trimethyl-2-oxo-1,2-dihydro-4H-pyrrolo[3,2,1-ij]quinolin-8-yl 3,4,5-trimethoxybenzoate. Following Lipinski's Rule of Five, 1-(dicyanomethylene)-4,4,6-trimethyl-2-oxo-1,2-dihydro-4H-pyrrolo[3,2,1-ij]quinolin-8-yl 3,4,5-trimethoxybenzoate has 0 hydrogen bond donor(s) and 8 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-(dicyanomethylene)-4,4,6-trimethyl-2-oxo-1,2-dihydro-4H-pyrrolo[3,2,1-ij]quinolin-8-yl 3,4,5-trimethoxybenzoate?
The CAS number of 1-(dicyanomethylene)-4,4,6-trimethyl-2-oxo-1,2-dihydro-4H-pyrrolo[3,2,1-ij]quinolin-8-yl 3,4,5-trimethoxybenzoate is 689754-64-1.
What is the molecular formula of 1-(dicyanomethylene)-4,4,6-trimethyl-2-oxo-1,2-dihydro-4H-pyrrolo[3,2,1-ij]quinolin-8-yl 3,4,5-trimethoxybenzoate?
The molecular formula of 1-(dicyanomethylene)-4,4,6-trimethyl-2-oxo-1,2-dihydro-4H-pyrrolo[3,2,1-ij]quinolin-8-yl 3,4,5-trimethoxybenzoate is C27H23N3O6.
What is the molecular weight of 1-(dicyanomethylene)-4,4,6-trimethyl-2-oxo-1,2-dihydro-4H-pyrrolo[3,2,1-ij]quinolin-8-yl 3,4,5-trimethoxybenzoate?
The molecular weight of 1-(dicyanomethylene)-4,4,6-trimethyl-2-oxo-1,2-dihydro-4H-pyrrolo[3,2,1-ij]quinolin-8-yl 3,4,5-trimethoxybenzoate is 485.16 g/mol.
Where can I buy 1-(dicyanomethylene)-4,4,6-trimethyl-2-oxo-1,2-dihydro-4H-pyrrolo[3,2,1-ij]quinolin-8-yl 3,4,5-trimethoxybenzoate?
You can request a quote for 1-(dicyanomethylene)-4,4,6-trimethyl-2-oxo-1,2-dihydro-4H-pyrrolo[3,2,1-ij]quinolin-8-yl 3,4,5-trimethoxybenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(dicyanomethylene)-4,4,6-trimethyl-2-oxo-1,2-dihydro-4H-pyrrolo[3,2,1-ij]quinolin-8-yl 3,4,5-trimethoxybenzoate?
Yes, KEHONG BIO provides custom synthesis services for 1-(dicyanomethylene)-4,4,6-trimethyl-2-oxo-1,2-dihydro-4H-pyrrolo[3,2,1-ij]quinolin-8-yl 3,4,5-trimethoxybenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.