![2-(4-(4-(4-nitrophenyl)piperazin-1-yl)-4-oxobutyl)-1H-benzo[de]isoquinoline-1,3(2H)-dione structure](/static/products/4425/442557-52-0.webp)
2-(4-(4-(4-nitrophenyl)piperazin-1-yl)-4-oxobutyl)-1H-benzo[de]isoquinoline-1,3(2H)-dione
TL;DR: 2-(4-(4-(4-nitrophenyl)piperazin-1-yl)-4-oxobutyl)-1H-benzo[de]isoquinoline-1,3(2H)-dione (CAS 442557-52-0) is a chemical compound with molecular formula C26H24N4O5 and molecular weight 472.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-[4-(4-nitrophenyl)piperazin-1-yl]-4-oxobutyl]benzo[de]isoquinoline-1,3-dione
Also Known As: 2-(4-(4-(4-nitrophenyl)piperazin-1-yl)-4-oxobutyl)-1H-benzo[de]isoquinoline-1,3(2H)-dione, F1161-0052, 3-{4-[4-(4-nitrophenyl)piperazin-1-yl]-4-oxobutyl}-3-azatricyclo[7.3.1.0^{5,13}]trideca-1(12),5,7,9(13),10-pentaene-2,4-dione, 2-[4-[4-(4-nitrophenyl)piperazin-1-yl]-4-oxobutyl]benzo[de]isoquinoline-1,3-dione, 2-{4-[4-(p-nitrophenyl)-1-piperazinyl]-4-oxobutyl}-2-aza-1H-phenalene-1,3(2H)-dione
| Molecular Formula | C26H24N4O5 |
|---|---|
| Molecular Weight | 472.17 g/mol |
| LogP | 3.473 |
| Topological Polar Surface Area | 104.07 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 472.17468 |
| Heavy Atoms | 35 |
| Complexity | 1278.5765 |
Chemical Identifiers
| CAS Number | 442557-52-0 |
|---|---|
| SMILES | C1CN(CCN1C2=CC=C(C=C2)[N+](=O)[O-])C(=O)CCCN3C(=O)C4=CC=CC5=C4C(=CC=C5)C3=O |
Product Overview
2-(4-(4-(4-nitrophenyl)piperazin-1-yl)-4-oxobutyl)-1H-benzo[de]isoquinoline-1,3(2H)-dione (CAS 442557-52-0), with molecular formula C26H24N4O5 and molecular weight 472.17 g/mol. IUPAC: 2-[4-[4-(4-nitrophenyl)piperazin-1-yl]-4-oxobutyl]benzo[de]isoquinoline-1,3-dione.
Chemical Property Profile of 2-(4-(4-(4-nitrophenyl)piperazin-1-yl)-4-oxobutyl)-1H-benzo[de]isoquinoline-1,3(2H)-dione
Property Insights of 2-(4-(4-(4-nitrophenyl)piperazin-1-yl)-4-oxobutyl)-1H-benzo[de]isoquinoline-1,3(2H)-dione
The XLogP value of 3.473 indicates that 2-(4-(4-(4-nitrophenyl)piperazin-1-yl)-4-oxobutyl)-1H-benzo[de]isoquinoline-1,3(2H)-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 104.07 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(4-(4-(4-nitrophenyl)piperazin-1-yl)-4-oxobutyl)-1H-benzo[de]isoquinoline-1,3(2H)-dione. Following Lipinski's Rule of Five, 2-(4-(4-(4-nitrophenyl)piperazin-1-yl)-4-oxobutyl)-1H-benzo[de]isoquinoline-1,3(2H)-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-(4-(4-(4-nitrophenyl)piperazin-1-yl)-4-oxobutyl)-1H-benzo[de]isoquinoline-1,3(2H)-dione?
The CAS number of 2-(4-(4-(4-nitrophenyl)piperazin-1-yl)-4-oxobutyl)-1H-benzo[de]isoquinoline-1,3(2H)-dione is 442557-52-0.
What is the molecular formula of 2-(4-(4-(4-nitrophenyl)piperazin-1-yl)-4-oxobutyl)-1H-benzo[de]isoquinoline-1,3(2H)-dione?
The molecular formula of 2-(4-(4-(4-nitrophenyl)piperazin-1-yl)-4-oxobutyl)-1H-benzo[de]isoquinoline-1,3(2H)-dione is C26H24N4O5.
What is the molecular weight of 2-(4-(4-(4-nitrophenyl)piperazin-1-yl)-4-oxobutyl)-1H-benzo[de]isoquinoline-1,3(2H)-dione?
The molecular weight of 2-(4-(4-(4-nitrophenyl)piperazin-1-yl)-4-oxobutyl)-1H-benzo[de]isoquinoline-1,3(2H)-dione is 472.17 g/mol.
Where can I buy 2-(4-(4-(4-nitrophenyl)piperazin-1-yl)-4-oxobutyl)-1H-benzo[de]isoquinoline-1,3(2H)-dione?
You can request a quote for 2-(4-(4-(4-nitrophenyl)piperazin-1-yl)-4-oxobutyl)-1H-benzo[de]isoquinoline-1,3(2H)-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(4-(4-(4-nitrophenyl)piperazin-1-yl)-4-oxobutyl)-1H-benzo[de]isoquinoline-1,3(2H)-dione?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-(4-(4-nitrophenyl)piperazin-1-yl)-4-oxobutyl)-1H-benzo[de]isoquinoline-1,3(2H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.