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Methyl 2-(5-nitro-1,3-dioxo-benzo[de]isoquinolin-2-yl)acetate
TL;DR: Methyl 2-(5-nitro-1,3-dioxo-benzo[de]isoquinolin-2-yl)acetate (CAS 103884-82-8) is a chemical compound with molecular formula C15H10N2O6 and molecular weight 314.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-(5-nitro-1,3-dioxobenzo[de]isoquinolin-2-yl)acetate
Also Known As: methyl 2-(5-nitro-1,3-dioxo-benzo[de]isoquinolin-2-yl)acetate, methyl 2-(5-nitro-1,3-dioxobenzo[de]isoquinolin-2-yl)acetate, methyl (5-nitro-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)acetate, Methyl 2-(5-nitro-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)acetate, Methyl (5-(hydroxy(oxido)amino)-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)acetate
| Molecular Formula | C15H10N2O6 |
|---|---|
| Molecular Weight | 314.05 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 110.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 314.0539 |
| Heavy Atoms | 23 |
| Complexity | 557.0 |
Chemical Identifiers
| CAS Number | 103884-82-8 |
|---|---|
| SMILES | COC(=O)CN1C(=O)C2=CC=CC3=CC(=CC(=C32)C1=O)[N+](=O)[O-] |
| InChIKey | KQLVJJNIWCEWBV-UHFFFAOYSA-N |
Product Overview
Methyl 2-(5-nitro-1,3-dioxo-benzo[de]isoquinolin-2-yl)acetate (CAS 103884-82-8), with molecular formula C15H10N2O6 and molecular weight 314.05 g/mol. IUPAC: methyl 2-(5-nitro-1,3-dioxobenzo[de]isoquinolin-2-yl)acetate.
Chemical Property Profile of Methyl 2-(5-nitro-1,3-dioxo-benzo[de]isoquinolin-2-yl)acetate
Property Insights of Methyl 2-(5-nitro-1,3-dioxo-benzo[de]isoquinolin-2-yl)acetate
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 2-(5-nitro-1,3-dioxo-benzo[de]isoquinolin-2-yl)acetate. The TPSA of 110.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 2-(5-nitro-1,3-dioxo-benzo[de]isoquinolin-2-yl)acetate. Following Lipinski's Rule of Five, Methyl 2-(5-nitro-1,3-dioxo-benzo[de]isoquinolin-2-yl)acetate has 0 hydrogen bond donor(s) and 6 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 Methyl 2-(5-nitro-1,3-dioxo-benzo[de]isoquinolin-2-yl)acetate?
The CAS number of Methyl 2-(5-nitro-1,3-dioxo-benzo[de]isoquinolin-2-yl)acetate is 103884-82-8.
What is the molecular formula of Methyl 2-(5-nitro-1,3-dioxo-benzo[de]isoquinolin-2-yl)acetate?
The molecular formula of Methyl 2-(5-nitro-1,3-dioxo-benzo[de]isoquinolin-2-yl)acetate is C15H10N2O6.
What is the molecular weight of Methyl 2-(5-nitro-1,3-dioxo-benzo[de]isoquinolin-2-yl)acetate?
The molecular weight of Methyl 2-(5-nitro-1,3-dioxo-benzo[de]isoquinolin-2-yl)acetate is 314.05 g/mol.
Where can I buy Methyl 2-(5-nitro-1,3-dioxo-benzo[de]isoquinolin-2-yl)acetate?
You can request a quote for Methyl 2-(5-nitro-1,3-dioxo-benzo[de]isoquinolin-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 Methyl 2-(5-nitro-1,3-dioxo-benzo[de]isoquinolin-2-yl)acetate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-(5-nitro-1,3-dioxo-benzo[de]isoquinolin-2-yl)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.