TL;DR: Disodium 4,4'-((4,6-diamino-1,3-phenylene)di-2,1-diazenediyl)dibenzenesulfonate (CAS 16386-21-3) is a chemical compound with molecular formula C18H14N6Na2O6S2 and molecular weight 520.0212 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
disodium;4-[[2,4-diamino-5-[(4-sulfonatophenyl)diazenyl]phenyl]diazenyl]benzenesulfonate
Also Known As: Disodium 4,4'-((4,6-diamino-1,3-phenylene)di-2,1-diazenediyl)dibenzenesulfonate, Disodium 4,4'-((4,6-diamino-1,3-phenylene)bis(azo))bis(benzenesulphonate), disodium;4-[[2,4-diamino-5-[(4-sulfonatophenyl)diazenyl]phenyl]diazenyl]benzenesulfonate, Benzenesulfonic acid, 4,4'-[(4,6-diamino-m-phenylene)bis(azo)]di-, disodium salt, Disodium 4,4'-[(4,6-diamino-1,3-phenylene)bis(azo)]bisbenzenesulfonate
| Molecular Formula | C18H14N6Na2O6S2 |
| Molecular Weight | 520.0212 g/mol |
| XLogP | -2.502 |
| Topological Polar Surface Area (TPSA) | 233.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 4 |
| Exact Mass | 520.0212 Da |
| Heavy Atoms | 34 |
| Complexity | 785.0 |
| SMILES | C1=CC(=CC=C1N=NC2=CC(=C(C=C2N)N)N=NC3=CC=C(C=C3)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+] |
| InChIKey | DMWRQJGVKMKHJS-UHFFFAOYSA-L |
The XLogP value of -2.502 indicates that Disodium 4,4'-((4,6-diamino-1,3-phenylene)di-2,1-diazenediyl)dibenzenesulfonate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 233.0 Ų indicates high polarity, suggesting Disodium 4,4'-((4,6-diamino-1,3-phenylene)di-2,1-diazenediyl)dibenzenesulfonate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Disodium 4,4'-((4,6-diamino-1,3-phenylene)di-2,1-diazenediyl)dibenzenesulfonate has 2 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of Disodium 4,4'-((4,6-diamino-1,3-phenylene)di-2,1-diazenediyl)dibenzenesulfonate is 16386-21-3.
The molecular formula of Disodium 4,4'-((4,6-diamino-1,3-phenylene)di-2,1-diazenediyl)dibenzenesulfonate is C18H14N6Na2O6S2.
The molecular weight of Disodium 4,4'-((4,6-diamino-1,3-phenylene)di-2,1-diazenediyl)dibenzenesulfonate is 520.0212 g/mol.
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