1H-Benz(de)isoquinoline-1,3(2H)-dione, 5-nitro-2-(2-(1-piperazinyl)ethyl)-
TL;DR: 1H-Benz(de)isoquinoline-1,3(2H)-dione, 5-nitro-2-(2-(1-piperazinyl)ethyl)- (CAS 96807-70-4) is a chemical compound with molecular formula C18H18N4O4 and molecular weight 354.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-nitro-2-(2-piperazin-1-ylethyl)benzo[de]isoquinoline-1,3-dione
Also Known As: 1H-Benz(de)isoquinoline-1,3(2H)-dione, 5-nitro-2-(2-(1-piperazinyl)ethyl)-, 5-nitro-2-(2-piperazin-1-ylethyl)benzo[de]isoquinoline-1,3-dione, 2-[2-(Piperazine-1-yl)ethyl]-5-nitro-1H-benzo[de]isoquinoline-1,3(2H)-dione, 5-nitro-2-[2-(piperazin-1-yl)ethyl]-1H-benzo[de]isoquinoline-1,3(2H)-dione, 11-nitro-3-[2-(piperazin-1-yl)ethyl]-3-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaene-2,4-dione
| Molecular Formula | C18H18N4O4 |
|---|---|
| Molecular Weight | 354.13 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 98.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 354.1328 |
| Heavy Atoms | 26 |
| Complexity | 586.0 |
Chemical Identifiers
| CAS Number | 96807-70-4 |
|---|---|
| SMILES | C1CN(CCN1)CCN2C(=O)C3=CC=CC4=CC(=CC(=C43)C2=O)[N+](=O)[O-] |
| InChIKey | SZQZTOAVOAEJBX-UHFFFAOYSA-N |
Product Overview
1H-Benz(de)isoquinoline-1,3(2H)-dione, 5-nitro-2-(2-(1-piperazinyl)ethyl)- (CAS 96807-70-4), with molecular formula C18H18N4O4 and molecular weight 354.13 g/mol. IUPAC: 5-nitro-2-(2-piperazin-1-ylethyl)benzo[de]isoquinoline-1,3-dione.
Chemical Property Profile of 1H-Benz(de)isoquinoline-1,3(2H)-dione, 5-nitro-2-(2-(1-piperazinyl)ethyl)-
Property Insights of 1H-Benz(de)isoquinoline-1,3(2H)-dione, 5-nitro-2-(2-(1-piperazinyl)ethyl)-
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1H-Benz(de)isoquinoline-1,3(2H)-dione, 5-nitro-2-(2-(1-piperazinyl)ethyl)-. The TPSA of 98.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 1H-Benz(de)isoquinoline-1,3(2H)-dione, 5-nitro-2-(2-(1-piperazinyl)ethyl)-. Following Lipinski's Rule of Five, 1H-Benz(de)isoquinoline-1,3(2H)-dione, 5-nitro-2-(2-(1-piperazinyl)ethyl)- has 1 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 1H-Benz(de)isoquinoline-1,3(2H)-dione, 5-nitro-2-(2-(1-piperazinyl)ethyl)-?
The CAS number of 1H-Benz(de)isoquinoline-1,3(2H)-dione, 5-nitro-2-(2-(1-piperazinyl)ethyl)- is 96807-70-4.
What is the molecular formula of 1H-Benz(de)isoquinoline-1,3(2H)-dione, 5-nitro-2-(2-(1-piperazinyl)ethyl)-?
The molecular formula of 1H-Benz(de)isoquinoline-1,3(2H)-dione, 5-nitro-2-(2-(1-piperazinyl)ethyl)- is C18H18N4O4.
What is the molecular weight of 1H-Benz(de)isoquinoline-1,3(2H)-dione, 5-nitro-2-(2-(1-piperazinyl)ethyl)-?
The molecular weight of 1H-Benz(de)isoquinoline-1,3(2H)-dione, 5-nitro-2-(2-(1-piperazinyl)ethyl)- is 354.13 g/mol.
Where can I buy 1H-Benz(de)isoquinoline-1,3(2H)-dione, 5-nitro-2-(2-(1-piperazinyl)ethyl)-?
You can request a quote for 1H-Benz(de)isoquinoline-1,3(2H)-dione, 5-nitro-2-(2-(1-piperazinyl)ethyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1H-Benz(de)isoquinoline-1,3(2H)-dione, 5-nitro-2-(2-(1-piperazinyl)ethyl)-?
Yes, KEHONG BIO provides custom synthesis services for 1H-Benz(de)isoquinoline-1,3(2H)-dione, 5-nitro-2-(2-(1-piperazinyl)ethyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.