![4-(4-(benzo[d][1,3]dioxol-5-ylmethyl)piperazin-1-yl)-1-methyl-3-nitroquinolin-2(1H)-one structure](/static/products/877/877809-18-2.png)
4-(4-(benzo[d][1,3]dioxol-5-ylmethyl)piperazin-1-yl)-1-methyl-3-nitroquinolin-2(1H)-one
TL;DR: 4-(4-(benzo[d][1,3]dioxol-5-ylmethyl)piperazin-1-yl)-1-methyl-3-nitroquinolin-2(1H)-one (CAS 877809-18-2) is a chemical compound with molecular formula C22H22N4O5 and molecular weight 422.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-1-methyl-3-nitroquinolin-2-one
Also Known As: 4-(4-(benzo[d][1,3]dioxol-5-ylmethyl)piperazin-1-yl)-1-methyl-3-nitroquinolin-2(1H)-one, 4-(4-Benzo[1,3]dioxol-5-ylmethyl-piperazin-1-yl)-1-methyl-3-nitro-1H-quinolin-2-one, 4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-1-methyl-3-nitroquinolin-2(1H)-one, 4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-1-methyl-3-nitroquinolin-2-one, 4-[4-(benzo[1,3]dioxol-5-ylmethyl)piperazin-1-yl]-1-methyl-3-nitro-quinolin-2-one
| Molecular Formula | C22H22N4O5 |
|---|---|
| Molecular Weight | 422.16 g/mol |
| LogP | 2.4976 |
| Topological Polar Surface Area | 90.08 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 422.15903 |
| Heavy Atoms | 31 |
| Complexity | 1230.5337 |
Chemical Identifiers
| CAS Number | 877809-18-2 |
|---|---|
| SMILES | CN1C2=CC=CC=C2C(=C(C1=O)[N+](=O)[O-])N3CCN(CC3)CC4=CC5=C(C=C4)OCO5 |
Product Overview
4-(4-(benzo[d][1,3]dioxol-5-ylmethyl)piperazin-1-yl)-1-methyl-3-nitroquinolin-2(1H)-one (CAS 877809-18-2), with molecular formula C22H22N4O5 and molecular weight 422.16 g/mol. IUPAC: 4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-1-methyl-3-nitroquinolin-2-one.
Chemical Property Profile of 4-(4-(benzo[d][1,3]dioxol-5-ylmethyl)piperazin-1-yl)-1-methyl-3-nitroquinolin-2(1H)-one
Property Insights of 4-(4-(benzo[d][1,3]dioxol-5-ylmethyl)piperazin-1-yl)-1-methyl-3-nitroquinolin-2(1H)-one
The XLogP value of 2.4976 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(4-(benzo[d][1,3]dioxol-5-ylmethyl)piperazin-1-yl)-1-methyl-3-nitroquinolin-2(1H)-one. The TPSA of 90.08 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(4-(benzo[d][1,3]dioxol-5-ylmethyl)piperazin-1-yl)-1-methyl-3-nitroquinolin-2(1H)-one. Following Lipinski's Rule of Five, 4-(4-(benzo[d][1,3]dioxol-5-ylmethyl)piperazin-1-yl)-1-methyl-3-nitroquinolin-2(1H)-one has 0 hydrogen bond donor(s) and 7 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-(benzo[d][1,3]dioxol-5-ylmethyl)piperazin-1-yl)-1-methyl-3-nitroquinolin-2(1H)-one?
The CAS number of 4-(4-(benzo[d][1,3]dioxol-5-ylmethyl)piperazin-1-yl)-1-methyl-3-nitroquinolin-2(1H)-one is 877809-18-2.
What is the molecular formula of 4-(4-(benzo[d][1,3]dioxol-5-ylmethyl)piperazin-1-yl)-1-methyl-3-nitroquinolin-2(1H)-one?
The molecular formula of 4-(4-(benzo[d][1,3]dioxol-5-ylmethyl)piperazin-1-yl)-1-methyl-3-nitroquinolin-2(1H)-one is C22H22N4O5.
What is the molecular weight of 4-(4-(benzo[d][1,3]dioxol-5-ylmethyl)piperazin-1-yl)-1-methyl-3-nitroquinolin-2(1H)-one?
The molecular weight of 4-(4-(benzo[d][1,3]dioxol-5-ylmethyl)piperazin-1-yl)-1-methyl-3-nitroquinolin-2(1H)-one is 422.16 g/mol.
Where can I buy 4-(4-(benzo[d][1,3]dioxol-5-ylmethyl)piperazin-1-yl)-1-methyl-3-nitroquinolin-2(1H)-one?
You can request a quote for 4-(4-(benzo[d][1,3]dioxol-5-ylmethyl)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-(benzo[d][1,3]dioxol-5-ylmethyl)piperazin-1-yl)-1-methyl-3-nitroquinolin-2(1H)-one?
Yes, KEHONG BIO provides custom synthesis services for 4-(4-(benzo[d][1,3]dioxol-5-ylmethyl)piperazin-1-yl)-1-methyl-3-nitroquinolin-2(1H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.