TL;DR: Suramin analog (CAS 111129-54-5) is a chemical compound with molecular formula C43H36N6O17S4 and molecular weight 1036.1019 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[[3-[[3-[[3-[[5-[(2,5-disulfophenyl)carbamoyl]-2-methylphenyl]carbamoyl]phenyl]carbamoylamino]benzoyl]amino]-4-methylbenzoyl]amino]benzene-1,4-disulfonic acid
Also Known As: Suramin analog, NF 063, 2-[[3-[[3-[[3-[[5-[(2,5-disulfophenyl)carbamoyl]-2-methylphenyl]carbamoyl]phenyl]carbamoylamino]benzoyl]amino]-4-methylbenzoyl]amino]benzene-1,4-disulfonic acid, 1,4-Benzenedisulfonic acid, 2,2'-[carbonylbis[imino-3,1-phenylenecarbonylimino(4-methyl-3,1-phenylene)carbonylimino]]bis-, tetrasodium salt, 2,2'-{Carbonylbis[azanediyl-3,1-phenylenecarbonylazanediyl(4-methyl-3,1-phenylene)carbonylazanediyl]}di(benzene-1,4-disulfonic acid)
| Molecular Formula | C43H36N6O17S4 |
| Molecular Weight | 1036.1019 g/mol |
| XLogP | 2.6 |
| Topological Polar Surface Area (TPSA) | 409.0 Ų |
| Hydrogen Bond Donors | 10 |
| Hydrogen Bond Acceptors | 17 |
| Rotatable Bonds | 14 |
| Exact Mass | 1036.1019 Da |
| Heavy Atoms | 70 |
| Complexity | 2210.0 |
| SMILES | CC1=C(C=C(C=C1)C(=O)NC2=C(C=CC(=C2)S(=O)(=O)O)S(=O)(=O)O)NC(=O)C3=CC(=CC=C3)NC(=O)NC4=CC=CC(=C4)C(=O)NC5=C(C=CC(=C5)C(=O)NC6=C(C=CC(=C6)S(=O)(=O)O)S(=O)(=O)O)C |
| InChIKey | FAHIOKXKKQBEFT-UHFFFAOYSA-N |
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Suramin analog. The TPSA of 409.0 Ų indicates high polarity, suggesting Suramin analog may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Suramin analog has 10 hydrogen bond donor(s) and 17 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of Suramin analog is 111129-54-5.
The molecular formula of Suramin analog is C43H36N6O17S4.
The molecular weight of Suramin analog is 1036.1019 g/mol.
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