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 403.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
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)
| Molecular Formula | C17H13BrN2O3S |
|---|---|
| Molecular Weight | 403.98 g/mol |
| LogP | 4.6959 |
| Topological Polar Surface Area | 73.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 403.98303 |
| Heavy Atoms | 24 |
| Complexity | 884.3979 |
Chemical Identifiers
| CAS Number | 134826-63-4 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C=CC(=N2)SCC(=O)C3=CC=C(C=C3)[N+](=O)[O-].Br |
Product Overview
Ethanone, 1-(4-nitrophenyl)-2-(2-quinolinylthio)-, monohydrobromide (CAS 134826-63-4), with molecular formula C17H13BrN2O3S and molecular weight 403.98 g/mol. IUPAC: 1-(4-nitrophenyl)-2-quinolin-2-ylsulfanylethanone;hydrobromide.
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 73.1 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 0 hydrogen bond donor(s) and 5 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-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 403.98 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 KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethanone, 1-(4-nitrophenyl)-2-(2-quinolinylthio)-, monohydrobromide?
Yes, KEHONG BIO 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.