TL;DR: 1H-Isoindole-1,3(2H)-dione, 2,2'-(sulfonyldi-4,1-phenylene)bis[5-amino- (CAS 139061-93-1) is a chemical compound with molecular formula C28H18N4O6S and molecular weight 538.0947 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-amino-2-[4-[4-(5-amino-1,3-dioxoisoindol-2-yl)phenyl]sulfonylphenyl]isoindole-1,3-dione
Also Known As: 1H-Isoindole-1,3(2H)-dione, 2,2'-(sulfonyldi-4,1-phenylene)bis[5-amino-, 5-amino-2-[4-[4-(5-amino-1,3-dioxoisoindol-2-yl)phenyl]sulfonylphenyl]isoindole-1,3-dione, 1H-Isoindole-1,3(2H)-dione,2,2'-(sulfonyldi-4,1-phenylene)bis[5-amino, 2,2'-[Sulfonyldi(4,1-phenylene)]bis(5-amino-1H-isoindole-1,3(2H)-dione), 5-amino-2-[4-[4-(5-amino-1,3-dioxo-isoindol-2-yl)phenyl]sulfonylphenyl]isoindole-1,3-dione
| Molecular Formula | C28H18N4O6S |
| Molecular Weight | 538.0947 g/mol |
| XLogP | 2.4 |
| Topological Polar Surface Area (TPSA) | 169.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 4 |
| Exact Mass | 538.0947 Da |
| Heavy Atoms | 39 |
| Complexity | 1060.0 |
| SMILES | C1=CC(=CC=C1N2C(=O)C3=C(C2=O)C=C(C=C3)N)S(=O)(=O)C4=CC=C(C=C4)N5C(=O)C6=C(C5=O)C=C(C=C6)N |
| InChIKey | WXTBFUNIQYAFFV-UHFFFAOYSA-N |
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1H-Isoindole-1,3(2H)-dione, 2,2'-(sulfonyldi-4,1-phenylene)bis[5-amino-. The TPSA of 169.0 Ų indicates high polarity, suggesting 1H-Isoindole-1,3(2H)-dione, 2,2'-(sulfonyldi-4,1-phenylene)bis[5-amino- may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 1H-Isoindole-1,3(2H)-dione, 2,2'-(sulfonyldi-4,1-phenylene)bis[5-amino- has 2 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 1H-Isoindole-1,3(2H)-dione, 2,2'-(sulfonyldi-4,1-phenylene)bis[5-amino- is 139061-93-1.
The molecular formula of 1H-Isoindole-1,3(2H)-dione, 2,2'-(sulfonyldi-4,1-phenylene)bis[5-amino- is C28H18N4O6S.
The molecular weight of 1H-Isoindole-1,3(2H)-dione, 2,2'-(sulfonyldi-4,1-phenylene)bis[5-amino- is 538.0947 g/mol.
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