![2-[2-[4-(3-Nitrobenzoyl)piperazin-1-yl]ethyl]benzo[de]isoquinoline-1,3-dione structure](/static/products/7142/714262-93-8.webp)
2-[2-[4-(3-Nitrobenzoyl)piperazin-1-yl]ethyl]benzo[de]isoquinoline-1,3-dione
TL;DR: 2-[2-[4-(3-Nitrobenzoyl)piperazin-1-yl]ethyl]benzo[de]isoquinoline-1,3-dione (CAS 714262-93-8) is a chemical compound with molecular formula C25H22N4O5 and molecular weight 458.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-[4-(3-nitrobenzoyl)piperazin-1-yl]ethyl]benzo[de]isoquinoline-1,3-dione
Also Known As: F1677-0113, 3-{2-[4-(3-nitrobenzoyl)piperazin-1-yl]ethyl}-3-azatricyclo[7.3.1.0^{5,13}]trideca-1(13),5,7,9,11-pentaene-2,4-dione, 2-(2-(4-(3-nitrobenzoyl)piperazin-1-yl)ethyl)-1H-benzo[de]isoquinoline-1,3(2H)-dione, 2-[2-[4-(3-nitrobenzoyl)piperazin-1-yl]ethyl]benzo[de]isoquinoline-1,3-dione, 2-{2-[4-(m-nitrobenzoyl)-1-piperazinyl]ethyl}-2-aza-1H-phenalene-1,3(2H)-dione
| Molecular Formula | C25H22N4O5 |
|---|---|
| Molecular Weight | 458.16 g/mol |
| LogP | 2.802 |
| Topological Polar Surface Area | 104.07 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 458.15903 |
| Heavy Atoms | 34 |
| Complexity | 1279.1355 |
Chemical Identifiers
| CAS Number | 714262-93-8 |
|---|---|
| SMILES | C1CN(CCN1CCN2C(=O)C3=CC=CC4=C3C(=CC=C4)C2=O)C(=O)C5=CC(=CC=C5)[N+](=O)[O-] |
Product Overview
2-[2-[4-(3-Nitrobenzoyl)piperazin-1-yl]ethyl]benzo[de]isoquinoline-1,3-dione (CAS 714262-93-8), with molecular formula C25H22N4O5 and molecular weight 458.16 g/mol. IUPAC: 2-[2-[4-(3-nitrobenzoyl)piperazin-1-yl]ethyl]benzo[de]isoquinoline-1,3-dione.
Chemical Property Profile of 2-[2-[4-(3-Nitrobenzoyl)piperazin-1-yl]ethyl]benzo[de]isoquinoline-1,3-dione
Property Insights of 2-[2-[4-(3-Nitrobenzoyl)piperazin-1-yl]ethyl]benzo[de]isoquinoline-1,3-dione
The XLogP value of 2.802 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[2-[4-(3-Nitrobenzoyl)piperazin-1-yl]ethyl]benzo[de]isoquinoline-1,3-dione. The TPSA of 104.07 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[2-[4-(3-Nitrobenzoyl)piperazin-1-yl]ethyl]benzo[de]isoquinoline-1,3-dione. Following Lipinski's Rule of Five, 2-[2-[4-(3-Nitrobenzoyl)piperazin-1-yl]ethyl]benzo[de]isoquinoline-1,3-dione 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-[2-[4-(3-Nitrobenzoyl)piperazin-1-yl]ethyl]benzo[de]isoquinoline-1,3-dione?
The CAS number of 2-[2-[4-(3-Nitrobenzoyl)piperazin-1-yl]ethyl]benzo[de]isoquinoline-1,3-dione is 714262-93-8.
What is the molecular formula of 2-[2-[4-(3-Nitrobenzoyl)piperazin-1-yl]ethyl]benzo[de]isoquinoline-1,3-dione?
The molecular formula of 2-[2-[4-(3-Nitrobenzoyl)piperazin-1-yl]ethyl]benzo[de]isoquinoline-1,3-dione is C25H22N4O5.
What is the molecular weight of 2-[2-[4-(3-Nitrobenzoyl)piperazin-1-yl]ethyl]benzo[de]isoquinoline-1,3-dione?
The molecular weight of 2-[2-[4-(3-Nitrobenzoyl)piperazin-1-yl]ethyl]benzo[de]isoquinoline-1,3-dione is 458.16 g/mol.
Where can I buy 2-[2-[4-(3-Nitrobenzoyl)piperazin-1-yl]ethyl]benzo[de]isoquinoline-1,3-dione?
You can request a quote for 2-[2-[4-(3-Nitrobenzoyl)piperazin-1-yl]ethyl]benzo[de]isoquinoline-1,3-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[2-[4-(3-Nitrobenzoyl)piperazin-1-yl]ethyl]benzo[de]isoquinoline-1,3-dione?
Yes, KEHONG BIO provides custom synthesis services for 2-[2-[4-(3-Nitrobenzoyl)piperazin-1-yl]ethyl]benzo[de]isoquinoline-1,3-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.