![4-((benzo[d][1,3]dioxol-5-ylmethyl)amino)-1-methyl-3-nitroquinolin-2(1H)-one structure](/static/products/849/849917-22-2.png)
4-((benzo[d][1,3]dioxol-5-ylmethyl)amino)-1-methyl-3-nitroquinolin-2(1H)-one
TL;DR: 4-((benzo[d][1,3]dioxol-5-ylmethyl)amino)-1-methyl-3-nitroquinolin-2(1H)-one (CAS 849917-22-2) is a chemical compound with molecular formula C18H15N3O5 and molecular weight 353.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(1,3-benzodioxol-5-ylmethylamino)-1-methyl-3-nitroquinolin-2-one
Also Known As: VU0338849-2, 4-((benzo[d][1,3]dioxol-5-ylmethyl)amino)-1-methyl-3-nitroquinolin-2(1H)-one, 4-(1,3-benzodioxol-5-ylmethylamino)-1-methyl-3-nitroquinolin-2-one, 4-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-1-methyl-3-nitro-1,2-dihydroquinolin-2-one, 4-[(1,3-benzodioxol-5-ylmethyl)amino]-1-methyl-3-nitroquinolin-2(1H)-one
| Molecular Formula | C18H15N3O5 |
|---|---|
| Molecular Weight | 353.10 g/mol |
| LogP | 2.7875 |
| Topological Polar Surface Area | 95.63 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 353.10117 |
| Heavy Atoms | 26 |
| Complexity | 1090.112 |
Chemical Identifiers
| CAS Number | 849917-22-2 |
|---|---|
| SMILES | CN1C2=CC=CC=C2C(=C(C1=O)[N+](=O)[O-])NCC3=CC4=C(C=C3)OCO4 |
Product Overview
4-((benzo[d][1,3]dioxol-5-ylmethyl)amino)-1-methyl-3-nitroquinolin-2(1H)-one (CAS 849917-22-2), with molecular formula C18H15N3O5 and molecular weight 353.10 g/mol. IUPAC: 4-(1,3-benzodioxol-5-ylmethylamino)-1-methyl-3-nitroquinolin-2-one.
Chemical Property Profile of 4-((benzo[d][1,3]dioxol-5-ylmethyl)amino)-1-methyl-3-nitroquinolin-2(1H)-one
Property Insights of 4-((benzo[d][1,3]dioxol-5-ylmethyl)amino)-1-methyl-3-nitroquinolin-2(1H)-one
The XLogP value of 2.7875 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-((benzo[d][1,3]dioxol-5-ylmethyl)amino)-1-methyl-3-nitroquinolin-2(1H)-one. The TPSA of 95.63 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-((benzo[d][1,3]dioxol-5-ylmethyl)amino)-1-methyl-3-nitroquinolin-2(1H)-one. Following Lipinski's Rule of Five, 4-((benzo[d][1,3]dioxol-5-ylmethyl)amino)-1-methyl-3-nitroquinolin-2(1H)-one 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 4-((benzo[d][1,3]dioxol-5-ylmethyl)amino)-1-methyl-3-nitroquinolin-2(1H)-one?
The CAS number of 4-((benzo[d][1,3]dioxol-5-ylmethyl)amino)-1-methyl-3-nitroquinolin-2(1H)-one is 849917-22-2.
What is the molecular formula of 4-((benzo[d][1,3]dioxol-5-ylmethyl)amino)-1-methyl-3-nitroquinolin-2(1H)-one?
The molecular formula of 4-((benzo[d][1,3]dioxol-5-ylmethyl)amino)-1-methyl-3-nitroquinolin-2(1H)-one is C18H15N3O5.
What is the molecular weight of 4-((benzo[d][1,3]dioxol-5-ylmethyl)amino)-1-methyl-3-nitroquinolin-2(1H)-one?
The molecular weight of 4-((benzo[d][1,3]dioxol-5-ylmethyl)amino)-1-methyl-3-nitroquinolin-2(1H)-one is 353.10 g/mol.
Where can I buy 4-((benzo[d][1,3]dioxol-5-ylmethyl)amino)-1-methyl-3-nitroquinolin-2(1H)-one?
You can request a quote for 4-((benzo[d][1,3]dioxol-5-ylmethyl)amino)-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-((benzo[d][1,3]dioxol-5-ylmethyl)amino)-1-methyl-3-nitroquinolin-2(1H)-one?
Yes, KEHONG BIO provides custom synthesis services for 4-((benzo[d][1,3]dioxol-5-ylmethyl)amino)-1-methyl-3-nitroquinolin-2(1H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.