TL;DR: 2-[[(E)-2-(benzenesulfonyl)-3-oxobut-1-enyl]amino]anthracene-9,10-dione (CAS 1024756-39-5) is a chemical compound with molecular formula C24H17NO5S and molecular weight 431.08273 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[[(E)-2-(benzenesulfonyl)-3-oxobut-1-enyl]amino]anthracene-9,10-dione
Also Known As: 2-[[(E)-2-(benzenesulfonyl)-3-oxobut-1-enyl]amino]anthracene-9,10-dione, 2-((3-OXO-2-(PHENYLSULFONYL)BUT-1-ENYL)AMINO)ANTHRACENE-9,10-DIONE, 2-[[(E)-2-(benzenesulfonyl)-3-oxo-but-1-enyl]amino]anthracene-9,10-dione, 2-[[2-(benzenesulfonyl)-3-oxo-but-1-enyl]amino]anthracene-9,10-dione, 9,10-Anthracenedione, 2-[[3-oxo-2-(phenylsulfonyl)-1-buten-1-yl]amino]-
| Molecular Formula | C24H17NO5S |
| Molecular Weight | 431.08273 g/mol |
| XLogP | 4.2 |
| Topological Polar Surface Area (TPSA) | 106.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 431.08273 Da |
| Heavy Atoms | 31 |
| Complexity | 865.0 |
| SMILES | CC(=O)/C(=C\NC1=CC2=C(C=C1)C(=O)C3=CC=CC=C3C2=O)/S(=O)(=O)C4=CC=CC=C4 |
| InChIKey | DGJLCJIMMGMGHI-HYARGMPZSA-N |
The XLogP value of 4.2 indicates that 2-[[(E)-2-(benzenesulfonyl)-3-oxobut-1-enyl]amino]anthracene-9,10-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 106.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[[(E)-2-(benzenesulfonyl)-3-oxobut-1-enyl]amino]anthracene-9,10-dione. Following Lipinski's Rule of Five, 2-[[(E)-2-(benzenesulfonyl)-3-oxobut-1-enyl]amino]anthracene-9,10-dione has 1 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 2-[[(E)-2-(benzenesulfonyl)-3-oxobut-1-enyl]amino]anthracene-9,10-dione is 1024756-39-5.
The molecular formula of 2-[[(E)-2-(benzenesulfonyl)-3-oxobut-1-enyl]amino]anthracene-9,10-dione is C24H17NO5S.
The molecular weight of 2-[[(E)-2-(benzenesulfonyl)-3-oxobut-1-enyl]amino]anthracene-9,10-dione is 431.08273 g/mol.
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