![2-(6-nitro-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)ethyl acetate structure](/static/products/294/294852-11-2.png)
2-(6-nitro-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)ethyl acetate
TL;DR: 2-(6-nitro-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)ethyl acetate (CAS 294852-11-2) is a chemical compound with molecular formula C16H12N2O6 and molecular weight 328.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(6-nitro-1,3-dioxobenzo[de]isoquinolin-2-yl)ethyl acetate
Also Known As: 2-(6-nitro-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)ethyl acetate, 2-(6-nitro-1,3-dioxobenzo[de]isoquinolin-2-yl)ethyl acetate
| Molecular Formula | C16H12N2O6 |
|---|---|
| Molecular Weight | 328.07 g/mol |
| LogP | 1.9071 |
| Topological Polar Surface Area | 106.82 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 328.06955 |
| Heavy Atoms | 24 |
| Complexity | 882.5709 |
Chemical Identifiers
| CAS Number | 294852-11-2 |
|---|---|
| SMILES | CC(=O)OCCN1C(=O)C2=C3C(=C(C=C2)[N+](=O)[O-])C=CC=C3C1=O |
Product Overview
2-(6-nitro-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)ethyl acetate (CAS 294852-11-2), with molecular formula C16H12N2O6 and molecular weight 328.07 g/mol. IUPAC: 2-(6-nitro-1,3-dioxobenzo[de]isoquinolin-2-yl)ethyl acetate.
Chemical Property Profile of 2-(6-nitro-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)ethyl acetate
Property Insights of 2-(6-nitro-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)ethyl acetate
The XLogP value of 1.9071 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(6-nitro-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)ethyl acetate. The TPSA of 106.82 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(6-nitro-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)ethyl acetate. Following Lipinski's Rule of Five, 2-(6-nitro-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)ethyl 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 2-(6-nitro-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)ethyl acetate?
The CAS number of 2-(6-nitro-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)ethyl acetate is 294852-11-2.
What is the molecular formula of 2-(6-nitro-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)ethyl acetate?
The molecular formula of 2-(6-nitro-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)ethyl acetate is C16H12N2O6.
What is the molecular weight of 2-(6-nitro-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)ethyl acetate?
The molecular weight of 2-(6-nitro-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)ethyl acetate is 328.07 g/mol.
Where can I buy 2-(6-nitro-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)ethyl acetate?
You can request a quote for 2-(6-nitro-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)ethyl acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(6-nitro-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)ethyl acetate?
Yes, KEHONG BIO provides custom synthesis services for 2-(6-nitro-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)ethyl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.