4-((1,1-dioxidotetrahydrothiophen-3-yl)amino)-1-methyl-3-nitroquinolin-2(1H)-one
TL;DR: 4-((1,1-dioxidotetrahydrothiophen-3-yl)amino)-1-methyl-3-nitroquinolin-2(1H)-one (CAS 850158-86-0) is a chemical compound with molecular formula C14H15N3O5S and molecular weight 337.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(1,1-dioxothiolan-3-yl)amino]-1-methyl-3-nitroquinolin-2-one
Also Known As: VU0605832-1, 4-((1,1-dioxidotetrahydrothiophen-3-yl)amino)-1-methyl-3-nitroquinolin-2(1H)-one, 4-[(1,1-dioxothiolan-3-yl)amino]-1-methyl-3-nitroquinolin-2-one, 3-[(1-methyl-3-nitro-2-oxo-1,2-dihydroquinolin-4-yl)amino]-1lambda6-thiolane-1,1-dione, 3-[(1-methyl-3-nitro-2-oxo-4-hydroquinolyl)amino]thiolane-1,1-dione
| Molecular Formula | C14H15N3O5S |
|---|---|
| Molecular Weight | 337.07 g/mol |
| LogP | 1.0457 |
| Topological Polar Surface Area | 111.31 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 337.07324 |
| Heavy Atoms | 23 |
| Complexity | 964.272 |
Chemical Identifiers
| CAS Number | 850158-86-0 |
|---|---|
| SMILES | CN1C2=CC=CC=C2C(=C(C1=O)[N+](=O)[O-])NC3CCS(=O)(=O)C3 |
Product Overview
4-((1,1-dioxidotetrahydrothiophen-3-yl)amino)-1-methyl-3-nitroquinolin-2(1H)-one (CAS 850158-86-0), with molecular formula C14H15N3O5S and molecular weight 337.07 g/mol. IUPAC: 4-[(1,1-dioxothiolan-3-yl)amino]-1-methyl-3-nitroquinolin-2-one.
Chemical Property Profile of 4-((1,1-dioxidotetrahydrothiophen-3-yl)amino)-1-methyl-3-nitroquinolin-2(1H)-one
Property Insights of 4-((1,1-dioxidotetrahydrothiophen-3-yl)amino)-1-methyl-3-nitroquinolin-2(1H)-one
The XLogP value of 1.0457 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-((1,1-dioxidotetrahydrothiophen-3-yl)amino)-1-methyl-3-nitroquinolin-2(1H)-one. The TPSA of 111.31 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-((1,1-dioxidotetrahydrothiophen-3-yl)amino)-1-methyl-3-nitroquinolin-2(1H)-one. Following Lipinski's Rule of Five, 4-((1,1-dioxidotetrahydrothiophen-3-yl)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-((1,1-dioxidotetrahydrothiophen-3-yl)amino)-1-methyl-3-nitroquinolin-2(1H)-one?
The CAS number of 4-((1,1-dioxidotetrahydrothiophen-3-yl)amino)-1-methyl-3-nitroquinolin-2(1H)-one is 850158-86-0.
What is the molecular formula of 4-((1,1-dioxidotetrahydrothiophen-3-yl)amino)-1-methyl-3-nitroquinolin-2(1H)-one?
The molecular formula of 4-((1,1-dioxidotetrahydrothiophen-3-yl)amino)-1-methyl-3-nitroquinolin-2(1H)-one is C14H15N3O5S.
What is the molecular weight of 4-((1,1-dioxidotetrahydrothiophen-3-yl)amino)-1-methyl-3-nitroquinolin-2(1H)-one?
The molecular weight of 4-((1,1-dioxidotetrahydrothiophen-3-yl)amino)-1-methyl-3-nitroquinolin-2(1H)-one is 337.07 g/mol.
Where can I buy 4-((1,1-dioxidotetrahydrothiophen-3-yl)amino)-1-methyl-3-nitroquinolin-2(1H)-one?
You can request a quote for 4-((1,1-dioxidotetrahydrothiophen-3-yl)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-((1,1-dioxidotetrahydrothiophen-3-yl)amino)-1-methyl-3-nitroquinolin-2(1H)-one?
Yes, KEHONG BIO provides custom synthesis services for 4-((1,1-dioxidotetrahydrothiophen-3-yl)amino)-1-methyl-3-nitroquinolin-2(1H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.