![2-(3-(6-nitro-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)phenyl)-4-oxo-4H-benzo[d][1,3]oxazin-6-yl acetate structure](/static/products/305/305360-39-8.png)
2-(3-(6-nitro-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)phenyl)-4-oxo-4H-benzo[d][1,3]oxazin-6-yl acetate
TL;DR: 2-(3-(6-nitro-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)phenyl)-4-oxo-4H-benzo[d][1,3]oxazin-6-yl acetate (CAS 305360-39-8) is a chemical compound with molecular formula C28H15N3O8 and molecular weight 521.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-[3-(6-nitro-1,3-dioxobenzo[de]isoquinolin-2-yl)phenyl]-4-oxo-3,1-benzoxazin-6-yl] acetate
Also Known As: 2-(3-(6-nitro-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)phenyl)-4-oxo-4H-benzo[d][1,3]oxazin-6-yl acetate, [2-[3-(6-nitro-1,3-dioxobenzo[de]isoquinolin-2-yl)phenyl]-4-oxo-3,1-benzoxazin-6-yl] acetate, 2-[3-(6-nitro-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)phenyl]-4-oxo-4H-3,1-benzoxazin-6-yl acetate
| Molecular Formula | C28H15N3O8 |
|---|---|
| Molecular Weight | 521.09 g/mol |
| LogP | 4.6423 |
| Topological Polar Surface Area | 149.92 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 4 |
| Exact Mass | 521.08594 |
| Heavy Atoms | 39 |
| Complexity | 1955.8077 |
Chemical Identifiers
| CAS Number | 305360-39-8 |
|---|---|
| SMILES | CC(=O)OC1=CC2=C(C=C1)N=C(OC2=O)C3=CC(=CC=C3)N4C(=O)C5=C6C(=C(C=C5)[N+](=O)[O-])C=CC=C6C4=O |
Product Overview
2-(3-(6-nitro-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)phenyl)-4-oxo-4H-benzo[d][1,3]oxazin-6-yl acetate (CAS 305360-39-8), with molecular formula C28H15N3O8 and molecular weight 521.09 g/mol. IUPAC: [2-[3-(6-nitro-1,3-dioxobenzo[de]isoquinolin-2-yl)phenyl]-4-oxo-3,1-benzoxazin-6-yl] acetate.
Chemical Property Profile of 2-(3-(6-nitro-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)phenyl)-4-oxo-4H-benzo[d][1,3]oxazin-6-yl acetate
Property Insights of 2-(3-(6-nitro-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)phenyl)-4-oxo-4H-benzo[d][1,3]oxazin-6-yl acetate
The XLogP value of 4.6423 indicates that 2-(3-(6-nitro-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)phenyl)-4-oxo-4H-benzo[d][1,3]oxazin-6-yl acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 149.92 Ų indicates high polarity, suggesting 2-(3-(6-nitro-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)phenyl)-4-oxo-4H-benzo[d][1,3]oxazin-6-yl acetate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2-(3-(6-nitro-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)phenyl)-4-oxo-4H-benzo[d][1,3]oxazin-6-yl acetate has 0 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-(3-(6-nitro-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)phenyl)-4-oxo-4H-benzo[d][1,3]oxazin-6-yl acetate?
The CAS number of 2-(3-(6-nitro-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)phenyl)-4-oxo-4H-benzo[d][1,3]oxazin-6-yl acetate is 305360-39-8.
What is the molecular formula of 2-(3-(6-nitro-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)phenyl)-4-oxo-4H-benzo[d][1,3]oxazin-6-yl acetate?
The molecular formula of 2-(3-(6-nitro-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)phenyl)-4-oxo-4H-benzo[d][1,3]oxazin-6-yl acetate is C28H15N3O8.
What is the molecular weight of 2-(3-(6-nitro-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)phenyl)-4-oxo-4H-benzo[d][1,3]oxazin-6-yl acetate?
The molecular weight of 2-(3-(6-nitro-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)phenyl)-4-oxo-4H-benzo[d][1,3]oxazin-6-yl acetate is 521.09 g/mol.
Where can I buy 2-(3-(6-nitro-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)phenyl)-4-oxo-4H-benzo[d][1,3]oxazin-6-yl acetate?
You can request a quote for 2-(3-(6-nitro-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)phenyl)-4-oxo-4H-benzo[d][1,3]oxazin-6-yl acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(3-(6-nitro-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)phenyl)-4-oxo-4H-benzo[d][1,3]oxazin-6-yl acetate?
Yes, KEHONG BIO provides custom synthesis services for 2-(3-(6-nitro-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)phenyl)-4-oxo-4H-benzo[d][1,3]oxazin-6-yl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.