![3-{[4-(4-nitrobenzyl)piperazin-1-yl]methyl}-1H-indole structure](/static/products/3560/356084-76-9.webp)
3-{[4-(4-nitrobenzyl)piperazin-1-yl]methyl}-1H-indole
TL;DR: 3-{[4-(4-nitrobenzyl)piperazin-1-yl]methyl}-1H-indole (CAS 356084-76-9) is a chemical compound with molecular formula C20H22N4O2 and molecular weight 350.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[[4-[(4-nitrophenyl)methyl]piperazin-1-yl]methyl]-1H-indole
Also Known As: BAS 01840671, 3-{[4-(4-nitrobenzyl)piperazin-1-yl]methyl}-1H-indole, 3-[[4-[(4-nitrophenyl)methyl]piperazin-1-yl]methyl]-1H-indole, 3-[4-(4-Nitro-benzyl)-piperazin-1-ylmethyl]-1H-indole, 1-(indol-3-ylmethyl)-4-[(4-nitrophenyl)methyl]piperazine
| Molecular Formula | C20H22N4O2 |
|---|---|
| Molecular Weight | 350.17 g/mol |
| LogP | 3.3939 |
| Topological Polar Surface Area | 65.41 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 350.1743 |
| Heavy Atoms | 26 |
| Complexity | 895.575 |
Chemical Identifiers
| CAS Number | 356084-76-9 |
|---|---|
| SMILES | C1CN(CCN1CC2=CC=C(C=C2)[N+](=O)[O-])CC3=CNC4=CC=CC=C43 |
Product Overview
3-{[4-(4-nitrobenzyl)piperazin-1-yl]methyl}-1H-indole (CAS 356084-76-9), with molecular formula C20H22N4O2 and molecular weight 350.17 g/mol. IUPAC: 3-[[4-[(4-nitrophenyl)methyl]piperazin-1-yl]methyl]-1H-indole.
Chemical Property Profile of 3-{[4-(4-nitrobenzyl)piperazin-1-yl]methyl}-1H-indole
Property Insights of 3-{[4-(4-nitrobenzyl)piperazin-1-yl]methyl}-1H-indole
The XLogP value of 3.3939 indicates that 3-{[4-(4-nitrobenzyl)piperazin-1-yl]methyl}-1H-indole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 65.41 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-{[4-(4-nitrobenzyl)piperazin-1-yl]methyl}-1H-indole. Following Lipinski's Rule of Five, 3-{[4-(4-nitrobenzyl)piperazin-1-yl]methyl}-1H-indole has 1 hydrogen bond donor(s) and 4 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 3-{[4-(4-nitrobenzyl)piperazin-1-yl]methyl}-1H-indole?
The CAS number of 3-{[4-(4-nitrobenzyl)piperazin-1-yl]methyl}-1H-indole is 356084-76-9.
What is the molecular formula of 3-{[4-(4-nitrobenzyl)piperazin-1-yl]methyl}-1H-indole?
The molecular formula of 3-{[4-(4-nitrobenzyl)piperazin-1-yl]methyl}-1H-indole is C20H22N4O2.
What is the molecular weight of 3-{[4-(4-nitrobenzyl)piperazin-1-yl]methyl}-1H-indole?
The molecular weight of 3-{[4-(4-nitrobenzyl)piperazin-1-yl]methyl}-1H-indole is 350.17 g/mol.
Where can I buy 3-{[4-(4-nitrobenzyl)piperazin-1-yl]methyl}-1H-indole?
You can request a quote for 3-{[4-(4-nitrobenzyl)piperazin-1-yl]methyl}-1H-indole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-{[4-(4-nitrobenzyl)piperazin-1-yl]methyl}-1H-indole?
Yes, KEHONG BIO provides custom synthesis services for 3-{[4-(4-nitrobenzyl)piperazin-1-yl]methyl}-1H-indole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.