TL;DR: Ethanone, 2-((2,6-dichloro-9-acridinyl)thio)-1-(4-nitrophenyl)- (CAS 134826-43-0) is a chemical compound with molecular formula C21H12Cl2N2O3S and molecular weight 441.99457 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(2,6-dichloroacridin-9-yl)sulfanyl-1-(4-nitrophenyl)ethanone
Also Known As: Ethanone, 2-((2,6-dichloro-9-acridinyl)thio)-1-(4-nitrophenyl)-, 2-((2,6-Dichloro-9-acridinyl)thio)-1-(4-nitrophenyl)ethanone, 2-(2,6-dichloroacridin-9-yl)sulfanyl-1-(4-nitrophenyl)ethanone, 2-[(2,6-Dichloroacridin-9-yl)sulfanyl]-1-(4-nitrophenyl)ethan-1-one, BRN 4890566
| Molecular Formula | C21H12Cl2N2O3S |
| Molecular Weight | 441.99457 g/mol |
| XLogP | 6.5 |
| Topological Polar Surface Area (TPSA) | 101.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 441.99457 Da |
| Heavy Atoms | 29 |
| Complexity | 611.0 |
| SMILES | C1=CC(=CC=C1C(=O)CSC2=C3C=C(C=CC3=NC4=C2C=CC(=C4)Cl)Cl)[N+](=O)[O-] |
| InChIKey | RKQMHASIAMPCTR-UHFFFAOYSA-N |
The XLogP value of 6.5 indicates that Ethanone, 2-((2,6-dichloro-9-acridinyl)thio)-1-(4-nitrophenyl)- 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, 2-((2,6-dichloro-9-acridinyl)thio)-1-(4-nitrophenyl)-. Following Lipinski's Rule of Five, Ethanone, 2-((2,6-dichloro-9-acridinyl)thio)-1-(4-nitrophenyl)- has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of Ethanone, 2-((2,6-dichloro-9-acridinyl)thio)-1-(4-nitrophenyl)- is 134826-43-0.
The molecular formula of Ethanone, 2-((2,6-dichloro-9-acridinyl)thio)-1-(4-nitrophenyl)- is C21H12Cl2N2O3S.
The molecular weight of Ethanone, 2-((2,6-dichloro-9-acridinyl)thio)-1-(4-nitrophenyl)- is 441.99457 g/mol.
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