TL;DR: [1,4-Dioxo-3-(1-pyridium-1-yl)-1,4-dihydro-2-naphthyl](2-thienylsulfonyl)azanide (CAS 1027620-40-1) is a chemical compound with molecular formula C19H12N2O4S2 and molecular weight 396.02383 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-oxo-2-pyridin-1-ium-1-yl-3-thiophen-2-ylsulfonyliminonaphthalen-1-olate
Also Known As: F3225-5858, 4-oxo-2-pyridin-1-ium-1-yl-3-thiophen-2-ylsulfonyliminonaphthalen-1-olate, 4-oxo-2-pyridin-1-yl-3-thiophen-2-ylsulfonylimino-naphthalen-1-olate, (1,4-dioxo-3-(pyridin-1-ium-1-yl)-1,4-dihydronaphthalen-2-yl)(thiophen-2-ylsulfonyl)amide, [1,4-dioxo-3-(1-pyridium-1-yl)-1,4-dihydro-2-naphthyl](2-thienylsulfonyl)azanide
| Molecular Formula | C19H12N2O4S2 |
| Molecular Weight | 396.02383 g/mol |
| XLogP | 3.9 |
| Topological Polar Surface Area (TPSA) | 127.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 396.02383 Da |
| Heavy Atoms | 27 |
| Complexity | 763.0 |
| SMILES | C1=CC=[N+](C=C1)C2=C(C3=CC=CC=C3C(=O)C2=NS(=O)(=O)C4=CC=CS4)[O-] |
| InChIKey | CMBUXPJABLCYJT-UHFFFAOYSA-N |
The XLogP value of 3.9 indicates that [1,4-Dioxo-3-(1-pyridium-1-yl)-1,4-dihydro-2-naphthyl](2-thienylsulfonyl)azanide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 127.0 Ų falls within the moderate polarity range, balancing permeability and solubility for [1,4-Dioxo-3-(1-pyridium-1-yl)-1,4-dihydro-2-naphthyl](2-thienylsulfonyl)azanide. Following Lipinski's Rule of Five, [1,4-Dioxo-3-(1-pyridium-1-yl)-1,4-dihydro-2-naphthyl](2-thienylsulfonyl)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 [1,4-Dioxo-3-(1-pyridium-1-yl)-1,4-dihydro-2-naphthyl](2-thienylsulfonyl)azanide is 1027620-40-1.
The molecular formula of [1,4-Dioxo-3-(1-pyridium-1-yl)-1,4-dihydro-2-naphthyl](2-thienylsulfonyl)azanide is C19H12N2O4S2.
The molecular weight of [1,4-Dioxo-3-(1-pyridium-1-yl)-1,4-dihydro-2-naphthyl](2-thienylsulfonyl)azanide is 396.02383 g/mol.
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