Ethanone, 1-(4-chloro-3-nitrophenyl)-2-ethoxy-2-((4-(methylthio)phenyl)amino)-
TL;DR: Ethanone, 1-(4-chloro-3-nitrophenyl)-2-ethoxy-2-((4-(methylthio)phenyl)amino)- (CAS 42069-72-7) is a chemical compound with molecular formula C17H17ClN2O4S and molecular weight 380.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-chloro-3-nitrophenyl)-2-ethoxy-2-(4-methylsulfanylanilino)ethanone
Also Known As: 1-(4-Chloro-3-nitrophenyl)-2-ethoxy-2-((4-(methylthio)phenyl)amino)ethanone, Ketone, 1-(4-chloro-3-nitrophenyl)-2-ethoxy-2-((4-(methylthio)phenyl)amino)-, ETHANONE, 1-(4-CHLORO-3-NITROPHENYL)-2-ETHOXY-2-((4-(METHYLTHIO)PHENYL)AMINO)-, 1-(4-chloro-3-nitrophenyl)-2-ethoxy-2-(4-methylsulfanylanilino)ethanone, 1-(4-Chloro-3-nitrophenyl)-2-ethoxy-2-[4-(methylsulfanyl)anilino]ethan-1-one
| Molecular Formula | C17H17ClN2O4S |
|---|---|
| Molecular Weight | 380.06 g/mol |
| LogP | 4.6 |
| Topological Polar Surface Area | 109.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 380.05975 |
| Heavy Atoms | 25 |
| Complexity | 454.0 |
Chemical Identifiers
| CAS Number | 42069-72-7 |
|---|---|
| SMILES | CCOC(C(=O)C1=CC(=C(C=C1)Cl)[N+](=O)[O-])NC2=CC=C(C=C2)SC |
| InChIKey | FALVILQYMRNRNL-UHFFFAOYSA-N |
Product Overview
Ethanone, 1-(4-chloro-3-nitrophenyl)-2-ethoxy-2-((4-(methylthio)phenyl)amino)- (CAS 42069-72-7), with molecular formula C17H17ClN2O4S and molecular weight 380.06 g/mol. IUPAC: 1-(4-chloro-3-nitrophenyl)-2-ethoxy-2-(4-methylsulfanylanilino)ethanone.
Chemical Property Profile of Ethanone, 1-(4-chloro-3-nitrophenyl)-2-ethoxy-2-((4-(methylthio)phenyl)amino)-
Property Insights of Ethanone, 1-(4-chloro-3-nitrophenyl)-2-ethoxy-2-((4-(methylthio)phenyl)amino)-
The XLogP value of 4.6 indicates that Ethanone, 1-(4-chloro-3-nitrophenyl)-2-ethoxy-2-((4-(methylthio)phenyl)amino)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 109.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethanone, 1-(4-chloro-3-nitrophenyl)-2-ethoxy-2-((4-(methylthio)phenyl)amino)-. Following Lipinski's Rule of Five, Ethanone, 1-(4-chloro-3-nitrophenyl)-2-ethoxy-2-((4-(methylthio)phenyl)amino)- 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, 1-(4-chloro-3-nitrophenyl)-2-ethoxy-2-((4-(methylthio)phenyl)amino)-?
The CAS number of Ethanone, 1-(4-chloro-3-nitrophenyl)-2-ethoxy-2-((4-(methylthio)phenyl)amino)- is 42069-72-7.
What is the molecular formula of Ethanone, 1-(4-chloro-3-nitrophenyl)-2-ethoxy-2-((4-(methylthio)phenyl)amino)-?
The molecular formula of Ethanone, 1-(4-chloro-3-nitrophenyl)-2-ethoxy-2-((4-(methylthio)phenyl)amino)- is C17H17ClN2O4S.
What is the molecular weight of Ethanone, 1-(4-chloro-3-nitrophenyl)-2-ethoxy-2-((4-(methylthio)phenyl)amino)-?
The molecular weight of Ethanone, 1-(4-chloro-3-nitrophenyl)-2-ethoxy-2-((4-(methylthio)phenyl)amino)- is 380.06 g/mol.
Where can I buy Ethanone, 1-(4-chloro-3-nitrophenyl)-2-ethoxy-2-((4-(methylthio)phenyl)amino)-?
You can request a quote for Ethanone, 1-(4-chloro-3-nitrophenyl)-2-ethoxy-2-((4-(methylthio)phenyl)amino)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethanone, 1-(4-chloro-3-nitrophenyl)-2-ethoxy-2-((4-(methylthio)phenyl)amino)-?
Yes, KEHONG BIO provides custom synthesis services for Ethanone, 1-(4-chloro-3-nitrophenyl)-2-ethoxy-2-((4-(methylthio)phenyl)amino)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.