![N-(4-Nitrophenyl)-1,3-dioxo-1H-benz[de]isoquinoline-2(3H)-acetamide structure](/static/products/2948/294853-94-4.webp)
N-(4-Nitrophenyl)-1,3-dioxo-1H-benz[de]isoquinoline-2(3H)-acetamide
TL;DR: N-(4-Nitrophenyl)-1,3-dioxo-1H-benz[de]isoquinoline-2(3H)-acetamide (CAS 294853-94-4) is a chemical compound with molecular formula C20H13N3O5 and molecular weight 375.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1,3-dioxobenzo[de]isoquinolin-2-yl)-N-(4-nitrophenyl)acetamide
Also Known As: N-(4-Nitrophenyl)-1,3-dioxo-1H-benz[de]isoquinoline-2(3H)-acetamide, 2-(1,3-dioxobenzo[de]isoquinolin-2-yl)-N-(4-nitrophenyl)acetamide, 2-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)-N-(4-nitrophenyl)acetamide, 2-{2,4-dioxo-3-azatricyclo[7.3.1.0^{5,13}]trideca-1(12),5,7,9(13),10-pentaen-3-yl}-N-(4-nitrophenyl)acetamide
| Molecular Formula | C20H13N3O5 |
|---|---|
| Molecular Weight | 375.09 g/mol |
| LogP | 2.9827 |
| Topological Polar Surface Area | 109.62 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 375.0855 |
| Heavy Atoms | 28 |
| Complexity | 1103.4698 |
Chemical Identifiers
| CAS Number | 294853-94-4 |
|---|---|
| SMILES | C1=CC2=C3C(=C1)C(=O)N(C(=O)C3=CC=C2)CC(=O)NC4=CC=C(C=C4)[N+](=O)[O-] |
Product Overview
N-(4-Nitrophenyl)-1,3-dioxo-1H-benz[de]isoquinoline-2(3H)-acetamide (CAS 294853-94-4), with molecular formula C20H13N3O5 and molecular weight 375.09 g/mol. IUPAC: 2-(1,3-dioxobenzo[de]isoquinolin-2-yl)-N-(4-nitrophenyl)acetamide.
Chemical Property Profile of N-(4-Nitrophenyl)-1,3-dioxo-1H-benz[de]isoquinoline-2(3H)-acetamide
Property Insights of N-(4-Nitrophenyl)-1,3-dioxo-1H-benz[de]isoquinoline-2(3H)-acetamide
The XLogP value of 2.9827 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(4-Nitrophenyl)-1,3-dioxo-1H-benz[de]isoquinoline-2(3H)-acetamide. The TPSA of 109.62 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(4-Nitrophenyl)-1,3-dioxo-1H-benz[de]isoquinoline-2(3H)-acetamide. Following Lipinski's Rule of Five, N-(4-Nitrophenyl)-1,3-dioxo-1H-benz[de]isoquinoline-2(3H)-acetamide has 1 hydrogen bond donor(s) and 5 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 N-(4-Nitrophenyl)-1,3-dioxo-1H-benz[de]isoquinoline-2(3H)-acetamide?
The CAS number of N-(4-Nitrophenyl)-1,3-dioxo-1H-benz[de]isoquinoline-2(3H)-acetamide is 294853-94-4.
What is the molecular formula of N-(4-Nitrophenyl)-1,3-dioxo-1H-benz[de]isoquinoline-2(3H)-acetamide?
The molecular formula of N-(4-Nitrophenyl)-1,3-dioxo-1H-benz[de]isoquinoline-2(3H)-acetamide is C20H13N3O5.
What is the molecular weight of N-(4-Nitrophenyl)-1,3-dioxo-1H-benz[de]isoquinoline-2(3H)-acetamide?
The molecular weight of N-(4-Nitrophenyl)-1,3-dioxo-1H-benz[de]isoquinoline-2(3H)-acetamide is 375.09 g/mol.
Where can I buy N-(4-Nitrophenyl)-1,3-dioxo-1H-benz[de]isoquinoline-2(3H)-acetamide?
You can request a quote for N-(4-Nitrophenyl)-1,3-dioxo-1H-benz[de]isoquinoline-2(3H)-acetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(4-Nitrophenyl)-1,3-dioxo-1H-benz[de]isoquinoline-2(3H)-acetamide?
Yes, KEHONG BIO provides custom synthesis services for N-(4-Nitrophenyl)-1,3-dioxo-1H-benz[de]isoquinoline-2(3H)-acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.