2-(2-(4-(4-nitrobenzyl)piperazin-1-yl)ethyl)-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione
TL;DR: 2-(2-(4-(4-nitrobenzyl)piperazin-1-yl)ethyl)-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione (CAS 361366-71-4) is a chemical compound with molecular formula C22H26N4O4 and molecular weight 410.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[2-[4-[(4-nitrophenyl)methyl]piperazin-1-yl]ethyl]-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
Also Known As: 2-(2-(4-(4-nitrobenzyl)piperazin-1-yl)ethyl)-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione, 4-(2-{4-[(4-nitrophenyl)methyl]piperazin-1-yl}ethyl)-4-azatricyclo[5.2.1.0^{2,6}]dec-8-ene-3,5-dione, 4-[2-[4-[(4-nitrophenyl)methyl]piperazin-1-yl]ethyl]-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione, 4-(2-{4-[(4-nitrophenyl)methyl]piperazinyl}ethyl)-4-azatricyclo[5.2.1.0<2,6>]d ec-8-ene-3,5-dione, 4-(2-{4-[(p-nitrophenyl)methyl]-1-piperazinyl}ethyl)-4-azatricyclo[5.2.1.0(2),]dec-8-ene-3,5-dione
| Molecular Formula | C22H26N4O4 |
|---|---|
| Molecular Weight | 410.20 g/mol |
| LogP | 1.5195 |
| Topological Polar Surface Area | 87.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 410.1954 |
| Heavy Atoms | 30 |
| Complexity | 860.90356 |
Chemical Identifiers
| CAS Number | 361366-71-4 |
|---|---|
| SMILES | C1CN(CCN1CCN2C(=O)C3C4CC(C3C2=O)C=C4)CC5=CC=C(C=C5)[N+](=O)[O-] |
Product Overview
2-(2-(4-(4-nitrobenzyl)piperazin-1-yl)ethyl)-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione (CAS 361366-71-4), with molecular formula C22H26N4O4 and molecular weight 410.20 g/mol. IUPAC: 4-[2-[4-[(4-nitrophenyl)methyl]piperazin-1-yl]ethyl]-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione.
Chemical Property Profile of 2-(2-(4-(4-nitrobenzyl)piperazin-1-yl)ethyl)-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione
Property Insights of 2-(2-(4-(4-nitrobenzyl)piperazin-1-yl)ethyl)-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione
The XLogP value of 1.5195 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(2-(4-(4-nitrobenzyl)piperazin-1-yl)ethyl)-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione. The TPSA of 87.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(2-(4-(4-nitrobenzyl)piperazin-1-yl)ethyl)-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione. Following Lipinski's Rule of Five, 2-(2-(4-(4-nitrobenzyl)piperazin-1-yl)ethyl)-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-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-(2-(4-(4-nitrobenzyl)piperazin-1-yl)ethyl)-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione?
The CAS number of 2-(2-(4-(4-nitrobenzyl)piperazin-1-yl)ethyl)-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione is 361366-71-4.
What is the molecular formula of 2-(2-(4-(4-nitrobenzyl)piperazin-1-yl)ethyl)-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione?
The molecular formula of 2-(2-(4-(4-nitrobenzyl)piperazin-1-yl)ethyl)-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione is C22H26N4O4.
What is the molecular weight of 2-(2-(4-(4-nitrobenzyl)piperazin-1-yl)ethyl)-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione?
The molecular weight of 2-(2-(4-(4-nitrobenzyl)piperazin-1-yl)ethyl)-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione is 410.20 g/mol.
Where can I buy 2-(2-(4-(4-nitrobenzyl)piperazin-1-yl)ethyl)-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione?
You can request a quote for 2-(2-(4-(4-nitrobenzyl)piperazin-1-yl)ethyl)-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-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-(2-(4-(4-nitrobenzyl)piperazin-1-yl)ethyl)-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione?
Yes, KEHONG BIO provides custom synthesis services for 2-(2-(4-(4-nitrobenzyl)piperazin-1-yl)ethyl)-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.