TL;DR: GS5EVG2EYG (CAS 68399-90-6) is a chemical compound with molecular formula C26H18N4O8S2 and molecular weight 578.0566 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-imino-9,10-dioxo-4-[4-[2-(4-sulfophenyl)hydrazinyl]phenyl]iminoanthracene-2-sulfonic acid
Also Known As: 2-Anthracenesulfonic acid, 1-amino-9,10-dihydro-9,10-dioxo-4-((4-((4-sulfophenyl)azo)phenyl)amino)-, 2-Anthracenesulfonic acid, 1-amino-9,10-dihydro-9,10-dioxo-4-[[4-[(4-sulfophenyl)azo]phenyl]amino]-, 2-Anthracenesulfonic acid, 1-amino-9,10-dihydro-9,10-dioxo-4-((4-(2-(4-sulfophenyl)diazenyl)phenyl)amino)-, 1-amino-9,10-dioxo-4-[4-[(4-sulfophenyl)diazenyl]anilino]anthracene-2-sulfonic acid, 1-Amino-9,10-dihydro-9,10-dioxo-4-[[4-[2-(4-sulfophenyl)diazenyl]phenyl]amino]-2-anthracenesulfonic acid
| Molecular Formula | C26H18N4O8S2 |
| Molecular Weight | 578.0566 g/mol |
| XLogP | 2.9 |
| Topological Polar Surface Area (TPSA) | 220.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 6 |
| Exact Mass | 578.0566 Da |
| Heavy Atoms | 40 |
| Complexity | 1390.0 |
| SMILES | C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=N)C(=CC3=NC4=CC=C(C=C4)NNC5=CC=C(C=C5)S(=O)(=O)O)S(=O)(=O)O |
| InChIKey | NRMXLUUBBZFRMB-UHFFFAOYSA-N |
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for GS5EVG2EYG. The TPSA of 220.0 Ų indicates high polarity, suggesting GS5EVG2EYG may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, GS5EVG2EYG has 5 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of GS5EVG2EYG is 68399-90-6.
The molecular formula of GS5EVG2EYG is C26H18N4O8S2.
The molecular weight of GS5EVG2EYG is 578.0566 g/mol.
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