4-(4-(4-fluorobenzyl)piperazin-1-yl)-1-methyl-3-nitroquinolin-2(1H)-one
TL;DR: 4-(4-(4-fluorobenzyl)piperazin-1-yl)-1-methyl-3-nitroquinolin-2(1H)-one (CAS 384365-69-9) is a chemical compound with molecular formula C21H21FN4O3 and molecular weight 396.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-1-methyl-3-nitroquinolin-2-one
Also Known As: BAS 08139277, 4-(4-(4-fluorobenzyl)piperazin-1-yl)-1-methyl-3-nitroquinolin-2(1H)-one, F1092-0497, 4-{4-[(4-fluorophenyl)methyl]piperazin-1-yl}-1-methyl-3-nitro-1,2-dihydroquinolin-2-one, 4-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-1-methyl-3-nitroquinolin-2-one
| Molecular Formula | C21H21FN4O3 |
|---|---|
| Molecular Weight | 396.16 g/mol |
| LogP | 2.908 |
| Topological Polar Surface Area | 71.62 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 396.15976 |
| Heavy Atoms | 29 |
| Complexity | 1119.2146 |
Chemical Identifiers
| CAS Number | 384365-69-9 |
|---|---|
| SMILES | CN1C2=CC=CC=C2C(=C(C1=O)[N+](=O)[O-])N3CCN(CC3)CC4=CC=C(C=C4)F |
Product Overview
4-(4-(4-fluorobenzyl)piperazin-1-yl)-1-methyl-3-nitroquinolin-2(1H)-one (CAS 384365-69-9), with molecular formula C21H21FN4O3 and molecular weight 396.16 g/mol. IUPAC: 4-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-1-methyl-3-nitroquinolin-2-one.
Chemical Property Profile of 4-(4-(4-fluorobenzyl)piperazin-1-yl)-1-methyl-3-nitroquinolin-2(1H)-one
Property Insights of 4-(4-(4-fluorobenzyl)piperazin-1-yl)-1-methyl-3-nitroquinolin-2(1H)-one
The XLogP value of 2.908 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(4-(4-fluorobenzyl)piperazin-1-yl)-1-methyl-3-nitroquinolin-2(1H)-one. The TPSA of 71.62 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(4-(4-fluorobenzyl)piperazin-1-yl)-1-methyl-3-nitroquinolin-2(1H)-one. Following Lipinski's Rule of Five, 4-(4-(4-fluorobenzyl)piperazin-1-yl)-1-methyl-3-nitroquinolin-2(1H)-one has 0 hydrogen bond donor(s) and 5 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 4-(4-(4-fluorobenzyl)piperazin-1-yl)-1-methyl-3-nitroquinolin-2(1H)-one?
The CAS number of 4-(4-(4-fluorobenzyl)piperazin-1-yl)-1-methyl-3-nitroquinolin-2(1H)-one is 384365-69-9.
What is the molecular formula of 4-(4-(4-fluorobenzyl)piperazin-1-yl)-1-methyl-3-nitroquinolin-2(1H)-one?
The molecular formula of 4-(4-(4-fluorobenzyl)piperazin-1-yl)-1-methyl-3-nitroquinolin-2(1H)-one is C21H21FN4O3.
What is the molecular weight of 4-(4-(4-fluorobenzyl)piperazin-1-yl)-1-methyl-3-nitroquinolin-2(1H)-one?
The molecular weight of 4-(4-(4-fluorobenzyl)piperazin-1-yl)-1-methyl-3-nitroquinolin-2(1H)-one is 396.16 g/mol.
Where can I buy 4-(4-(4-fluorobenzyl)piperazin-1-yl)-1-methyl-3-nitroquinolin-2(1H)-one?
You can request a quote for 4-(4-(4-fluorobenzyl)piperazin-1-yl)-1-methyl-3-nitroquinolin-2(1H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(4-(4-fluorobenzyl)piperazin-1-yl)-1-methyl-3-nitroquinolin-2(1H)-one?
Yes, KEHONG BIO provides custom synthesis services for 4-(4-(4-fluorobenzyl)piperazin-1-yl)-1-methyl-3-nitroquinolin-2(1H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.