TL;DR: [3-(3,5-Dimethylpyridinium-1-yl)quinoxalin-2-yl](thiophen-2-ylsulfonyl)azanide (CAS 1103502-88-0) is a chemical compound with molecular formula C19H16N4O2S2 and molecular weight 396.07147 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[3-(3,5-dimethylpyridin-1-ium-1-yl)quinoxalin-2-yl]-thiophen-2-ylsulfonylazanide
Also Known As: VU0259964-3, [3-(3,5-dimethylpyridinium-1-yl)quinoxalin-2-yl](thiophen-2-ylsulfonyl)azanide, F3225-0732, AO-022/43392244, (3-(3,5-dimethylpyridin-1-ium-1-yl)quinoxalin-2-yl)(thiophen-2-ylsulfonyl)amide
| Molecular Formula | C19H16N4O2S2 |
| Molecular Weight | 396.07147 g/mol |
| XLogP | 3.9 |
| Topological Polar Surface Area (TPSA) | 101.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 396.07147 Da |
| Heavy Atoms | 27 |
| Complexity | 601.0 |
| SMILES | CC1=CC(=C[N+](=C1)C2=NC3=CC=CC=C3N=C2[N-]S(=O)(=O)C4=CC=CS4)C |
| InChIKey | SOYIYIHOVYBMDZ-UHFFFAOYSA-N |
The XLogP value of 3.9 indicates that [3-(3,5-Dimethylpyridinium-1-yl)quinoxalin-2-yl](thiophen-2-ylsulfonyl)azanide 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 [3-(3,5-Dimethylpyridinium-1-yl)quinoxalin-2-yl](thiophen-2-ylsulfonyl)azanide. Following Lipinski's Rule of Five, [3-(3,5-Dimethylpyridinium-1-yl)quinoxalin-2-yl](thiophen-2-ylsulfonyl)azanide has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of [3-(3,5-Dimethylpyridinium-1-yl)quinoxalin-2-yl](thiophen-2-ylsulfonyl)azanide is 1103502-88-0.
The molecular formula of [3-(3,5-Dimethylpyridinium-1-yl)quinoxalin-2-yl](thiophen-2-ylsulfonyl)azanide is C19H16N4O2S2.
The molecular weight of [3-(3,5-Dimethylpyridinium-1-yl)quinoxalin-2-yl](thiophen-2-ylsulfonyl)azanide is 396.07147 g/mol.
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