TL;DR: Suramin analog (CAS 111129-61-4) is a chemical compound with molecular formula C47H34N4O21S6 and molecular weight 1182.004 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
8-[[3-[2-[[2-[3-[(4,6,8-trisulfonaphthalen-1-yl)carbamoyl]phenyl]phenyl]carbamoylamino]phenyl]benzoyl]amino]naphthalene-1,3,5-trisulfonic acid
Also Known As: Suramin analog, NF 201, 1,3,5-Naphthalenetrisulfonicacid, 8,8'-[carbonylbis(imino[1,1'-biphenyl]-2,3'-diylcarbonylimino)]bis-,hexasodium salt (9CI), 8,8'-[Carbonylbis(azanediyl[1,1'-biphenyl]-2,3'-diylcarbonylazanediyl)]di(naphthalene-1,3,5-trisulfonic acid), 8-[[3-[2-[[2-[3-[(4,6,8-trisulfonaphthalen-1-yl)carbamoyl]phenyl]phenyl]carbamoylamino]phenyl]benzoyl]amino]naphthalene-1,3,5-trisulfonic acid
| Molecular Formula | C47H34N4O21S6 |
| Molecular Weight | 1182.004 g/mol |
| XLogP | 2.4 |
| Topological Polar Surface Area (TPSA) | 476.0 Ų |
| Hydrogen Bond Donors | 10 |
| Hydrogen Bond Acceptors | 21 |
| Rotatable Bonds | 14 |
| Exact Mass | 1182.004 Da |
| Heavy Atoms | 78 |
| Complexity | 2700.0 |
| SMILES | C1=CC=C(C(=C1)C2=CC(=CC=C2)C(=O)NC3=C4C(=CC(=CC4=C(C=C3)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)NC(=O)NC5=CC=CC=C5C6=CC(=CC=C6)C(=O)NC7=C8C(=CC(=CC8=C(C=C7)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O |
| InChIKey | ZNAKISQHPHWSBA-UHFFFAOYSA-N |
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Suramin analog. The TPSA of 476.0 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 21 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of Suramin analog is 111129-61-4.
The molecular formula of Suramin analog is C47H34N4O21S6.
The molecular weight of Suramin analog is 1182.004 g/mol.
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