Ethanone, 2-ethoxy-2-((4-(methylthio)phenyl)amino)-1-(3-nitrophenyl)-
TL;DR: Ethanone, 2-ethoxy-2-((4-(methylthio)phenyl)amino)-1-(3-nitrophenyl)- (CAS 42069-45-4) is a chemical compound with molecular formula C17H18N2O4S and molecular weight 346.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-ethoxy-2-(4-methylsulfanylanilino)-1-(3-nitrophenyl)ethanone
Also Known As: 2-Ethoxy-2-((4-(methylthio)phenyl)amino)-1-(3-nitrophenyl)ethanone, Ethanone, 2-ethoxy-2-((4-(methylthio)phenyl)amino)-1-(3-nitrophenyl)-, 2-ethoxy-2-(4-methylsulfanylanilino)-1-(3-nitrophenyl)ethanone, 2-Ethoxy-2-[4-(methylsulfanyl)anilino]-1-(3-nitrophenyl)ethan-1-one, BRN 3007307
| Molecular Formula | C17H18N2O4S |
|---|---|
| Molecular Weight | 346.10 g/mol |
| LogP | 3.9741 |
| Topological Polar Surface Area | 81.47 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 346.09872 |
| Heavy Atoms | 24 |
| Complexity | 718.7854 |
Chemical Identifiers
| CAS Number | 42069-45-4 |
|---|---|
| SMILES | CCOC(C(=O)C1=CC(=CC=C1)[N+](=O)[O-])NC2=CC=C(C=C2)SC |
Product Overview
Ethanone, 2-ethoxy-2-((4-(methylthio)phenyl)amino)-1-(3-nitrophenyl)- (CAS 42069-45-4), with molecular formula C17H18N2O4S and molecular weight 346.10 g/mol. IUPAC: 2-ethoxy-2-(4-methylsulfanylanilino)-1-(3-nitrophenyl)ethanone.
Chemical Property Profile of Ethanone, 2-ethoxy-2-((4-(methylthio)phenyl)amino)-1-(3-nitrophenyl)-
Property Insights of Ethanone, 2-ethoxy-2-((4-(methylthio)phenyl)amino)-1-(3-nitrophenyl)-
The XLogP value of 3.9741 indicates that Ethanone, 2-ethoxy-2-((4-(methylthio)phenyl)amino)-1-(3-nitrophenyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 81.47 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethanone, 2-ethoxy-2-((4-(methylthio)phenyl)amino)-1-(3-nitrophenyl)-. Following Lipinski's Rule of Five, Ethanone, 2-ethoxy-2-((4-(methylthio)phenyl)amino)-1-(3-nitrophenyl)- 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 Ethanone, 2-ethoxy-2-((4-(methylthio)phenyl)amino)-1-(3-nitrophenyl)-?
The CAS number of Ethanone, 2-ethoxy-2-((4-(methylthio)phenyl)amino)-1-(3-nitrophenyl)- is 42069-45-4.
What is the molecular formula of Ethanone, 2-ethoxy-2-((4-(methylthio)phenyl)amino)-1-(3-nitrophenyl)-?
The molecular formula of Ethanone, 2-ethoxy-2-((4-(methylthio)phenyl)amino)-1-(3-nitrophenyl)- is C17H18N2O4S.
What is the molecular weight of Ethanone, 2-ethoxy-2-((4-(methylthio)phenyl)amino)-1-(3-nitrophenyl)-?
The molecular weight of Ethanone, 2-ethoxy-2-((4-(methylthio)phenyl)amino)-1-(3-nitrophenyl)- is 346.10 g/mol.
Where can I buy Ethanone, 2-ethoxy-2-((4-(methylthio)phenyl)amino)-1-(3-nitrophenyl)-?
You can request a quote for Ethanone, 2-ethoxy-2-((4-(methylthio)phenyl)amino)-1-(3-nitrophenyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethanone, 2-ethoxy-2-((4-(methylthio)phenyl)amino)-1-(3-nitrophenyl)-?
Yes, KEHONG BIO provides custom synthesis services for Ethanone, 2-ethoxy-2-((4-(methylthio)phenyl)amino)-1-(3-nitrophenyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.