![4,4,6-trimethyl-1,2-dioxo-1,2-dihydro-4H-pyrrolo[3,2,1-ij]quinolin-8-yl 3,5-dinitrobenzoate structure](/static/products/524/524056-14-2.png)
4,4,6-trimethyl-1,2-dioxo-1,2-dihydro-4H-pyrrolo[3,2,1-ij]quinolin-8-yl 3,5-dinitrobenzoate
TL;DR: 4,4,6-trimethyl-1,2-dioxo-1,2-dihydro-4H-pyrrolo[3,2,1-ij]quinolin-8-yl 3,5-dinitrobenzoate (CAS 524056-14-2) is a chemical compound with molecular formula C21H15N3O8 and molecular weight 437.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(9,11,11-trimethyl-2,3-dioxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12),9-tetraen-6-yl) 3,5-dinitrobenzoate
Also Known As: 4,4,6-trimethyl-1,2-dioxo-1,2-dihydro-4H-pyrrolo[3,2,1-ij]quinolin-8-yl 3,5-dinitrobenzoate, 4,4,6-trimethyl-1,2-dioxo-2,4-dihydro-1H-pyrrolo[3,2,1-ij]quinolin-8-yl 3,5-dinitrobenzoate
| Molecular Formula | C21H15N3O8 |
|---|---|
| Molecular Weight | 437.09 g/mol |
| LogP | 3.447 |
| Topological Polar Surface Area | 149.96 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 4 |
| Exact Mass | 437.0859 |
| Heavy Atoms | 32 |
| Complexity | 1276.1133 |
Chemical Identifiers
| CAS Number | 524056-14-2 |
|---|---|
| SMILES | CC1=CC(N2C3=C1C=C(C=C3C(=O)C2=O)OC(=O)C4=CC(=CC(=C4)[N+](=O)[O-])[N+](=O)[O-])(C)C |
Product Overview
4,4,6-trimethyl-1,2-dioxo-1,2-dihydro-4H-pyrrolo[3,2,1-ij]quinolin-8-yl 3,5-dinitrobenzoate (CAS 524056-14-2), with molecular formula C21H15N3O8 and molecular weight 437.09 g/mol. IUPAC: (9,11,11-trimethyl-2,3-dioxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12),9-tetraen-6-yl) 3,5-dinitrobenzoate.
Chemical Property Profile of 4,4,6-trimethyl-1,2-dioxo-1,2-dihydro-4H-pyrrolo[3,2,1-ij]quinolin-8-yl 3,5-dinitrobenzoate
Property Insights of 4,4,6-trimethyl-1,2-dioxo-1,2-dihydro-4H-pyrrolo[3,2,1-ij]quinolin-8-yl 3,5-dinitrobenzoate
The XLogP value of 3.447 indicates that 4,4,6-trimethyl-1,2-dioxo-1,2-dihydro-4H-pyrrolo[3,2,1-ij]quinolin-8-yl 3,5-dinitrobenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 149.96 Ų indicates high polarity, suggesting 4,4,6-trimethyl-1,2-dioxo-1,2-dihydro-4H-pyrrolo[3,2,1-ij]quinolin-8-yl 3,5-dinitrobenzoate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 4,4,6-trimethyl-1,2-dioxo-1,2-dihydro-4H-pyrrolo[3,2,1-ij]quinolin-8-yl 3,5-dinitrobenzoate 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 4,4,6-trimethyl-1,2-dioxo-1,2-dihydro-4H-pyrrolo[3,2,1-ij]quinolin-8-yl 3,5-dinitrobenzoate?
The CAS number of 4,4,6-trimethyl-1,2-dioxo-1,2-dihydro-4H-pyrrolo[3,2,1-ij]quinolin-8-yl 3,5-dinitrobenzoate is 524056-14-2.
What is the molecular formula of 4,4,6-trimethyl-1,2-dioxo-1,2-dihydro-4H-pyrrolo[3,2,1-ij]quinolin-8-yl 3,5-dinitrobenzoate?
The molecular formula of 4,4,6-trimethyl-1,2-dioxo-1,2-dihydro-4H-pyrrolo[3,2,1-ij]quinolin-8-yl 3,5-dinitrobenzoate is C21H15N3O8.
What is the molecular weight of 4,4,6-trimethyl-1,2-dioxo-1,2-dihydro-4H-pyrrolo[3,2,1-ij]quinolin-8-yl 3,5-dinitrobenzoate?
The molecular weight of 4,4,6-trimethyl-1,2-dioxo-1,2-dihydro-4H-pyrrolo[3,2,1-ij]quinolin-8-yl 3,5-dinitrobenzoate is 437.09 g/mol.
Where can I buy 4,4,6-trimethyl-1,2-dioxo-1,2-dihydro-4H-pyrrolo[3,2,1-ij]quinolin-8-yl 3,5-dinitrobenzoate?
You can request a quote for 4,4,6-trimethyl-1,2-dioxo-1,2-dihydro-4H-pyrrolo[3,2,1-ij]quinolin-8-yl 3,5-dinitrobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4,4,6-trimethyl-1,2-dioxo-1,2-dihydro-4H-pyrrolo[3,2,1-ij]quinolin-8-yl 3,5-dinitrobenzoate?
Yes, KEHONG BIO provides custom synthesis services for 4,4,6-trimethyl-1,2-dioxo-1,2-dihydro-4H-pyrrolo[3,2,1-ij]quinolin-8-yl 3,5-dinitrobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.