Ethanone, 1-(4-nitrophenyl)-2-(2-quinolinylthio)-, monohydrobromide
TL;DR: Ethanone, 1-(4-nitrophenyl)-2-(2-quinolinylthio)-, monohydrobromide (CAS 134826-63-4) is a chemical compound with molecular formula C17H13BrN2O3S and molecular weight 403.98303 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-(4-nitrophenyl)-2-quinolin-2-ylsulfanylethanone;hydrobromide
Also Known As: Ethanone, 1-(4-nitrophenyl)-2-(2-quinolinylthio)-, monohydrobromide, 1-(4-Nitrophenyl)-2-(2-quinolinylthio)ethanone monohydrobromide, 1-(4-nitrophenyl)-2-quinolin-2-ylsulfanylethanone, 1-(4-nitrophenyl)-2-quinolin-2-ylsulfanylethanone hydrobromide, Ethanone,1-(4-nitrophenyl)-2-(2-quinolinylthio)-,hydrobromide(1:1)
Technical Specifications
| Molecular Formula | C17H13BrN2O3S |
| Molecular Weight | 403.98303 g/mol |
| XLogP | 4.6959 |
| Topological Polar Surface Area (TPSA) | 101.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 403.98303 Da |
| Heavy Atoms | 24 |
| Complexity | 432.0 |
| SMILES | C1=CC=C2C(=C1)C=CC(=N2)SCC(=O)C3=CC=C(C=C3)[N+](=O)[O-].Br |
| InChIKey | VJDMCRQDYCTCJS-UHFFFAOYSA-N |
Chemical Property Profile of Ethanone, 1-(4-nitrophenyl)-2-(2-quinolinylthio)-, monohydrobromide
Property Insights of Ethanone, 1-(4-nitrophenyl)-2-(2-quinolinylthio)-, monohydrobromide
The XLogP value of 4.6959 indicates that Ethanone, 1-(4-nitrophenyl)-2-(2-quinolinylthio)-, monohydrobromide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 101.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethanone, 1-(4-nitrophenyl)-2-(2-quinolinylthio)-, monohydrobromide. Following Lipinski's Rule of Five, Ethanone, 1-(4-nitrophenyl)-2-(2-quinolinylthio)-, monohydrobromide has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Ethanone, 1-(4-nitrophenyl)-2-(2-quinolinylthio)-, monohydrobromide?
The CAS number of Ethanone, 1-(4-nitrophenyl)-2-(2-quinolinylthio)-, monohydrobromide is 134826-63-4.
What is the molecular formula of Ethanone, 1-(4-nitrophenyl)-2-(2-quinolinylthio)-, monohydrobromide?
The molecular formula of Ethanone, 1-(4-nitrophenyl)-2-(2-quinolinylthio)-, monohydrobromide is C17H13BrN2O3S.
What is the molecular weight of Ethanone, 1-(4-nitrophenyl)-2-(2-quinolinylthio)-, monohydrobromide?
The molecular weight of Ethanone, 1-(4-nitrophenyl)-2-(2-quinolinylthio)-, monohydrobromide is 403.98303 g/mol.
Where can I buy Ethanone, 1-(4-nitrophenyl)-2-(2-quinolinylthio)-, monohydrobromide?
You can request a quote for Ethanone, 1-(4-nitrophenyl)-2-(2-quinolinylthio)-, monohydrobromide directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Ethanone, 1-(4-nitrophenyl)-2-(2-quinolinylthio)-, monohydrobromide?
Yes, CoreyChem provides custom synthesis services for Ethanone, 1-(4-nitrophenyl)-2-(2-quinolinylthio)-, monohydrobromide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.