TL;DR: Trisodium 4,4',4''-(2,4-diamino-1,3,5-phenenyl)tris(azo)-tribenzenesulfonate (CAS 16386-22-4) is a chemical compound with molecular formula C24H17N8Na3O9S3 and molecular weight 725.9974 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
trisodium;4-[[2,4-diamino-3,5-bis[(4-sulfonatophenyl)diazenyl]phenyl]diazenyl]benzenesulfonate
Also Known As: TRISODIUM, Trisodium 4,4',4''-(2,4-diamino-1,3,5-phenenyl)tris(azo)-tribenzenesulfonate, Benzenesulfonic acid, 4,4',4''-((2,4-diamino-1,3,5-benzenetriyl)tris(azo))tris-, trisodium, Benzenesulfonic acid, 4,4',4''-((2,4-diamino-s-phenenyl)tris(azo))tri-, trisodium salt, Trisodium 4,4',4''-((2,4-diaminobenzene-1,3,5-triyl)tris(azo))tris(benzenesulphonate)
| Molecular Formula | C24H17N8Na3O9S3 |
| Molecular Weight | 725.9974 g/mol |
| XLogP | -4.1785 |
| Topological Polar Surface Area (TPSA) | 323.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 17 |
| Rotatable Bonds | 6 |
| Exact Mass | 725.9974 Da |
| Heavy Atoms | 47 |
| Complexity | 1250.0 |
| SMILES | C1=CC(=CC=C1N=NC2=CC(=C(C(=C2N)N=NC3=CC=C(C=C3)S(=O)(=O)[O-])N)N=NC4=CC=C(C=C4)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+] |
| InChIKey | KXODKXZIBOAFDL-UHFFFAOYSA-K |
The XLogP value of -4.1785 indicates that Trisodium 4,4',4''-(2,4-diamino-1,3,5-phenenyl)tris(azo)-tribenzenesulfonate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 323.0 Ų indicates high polarity, suggesting Trisodium 4,4',4''-(2,4-diamino-1,3,5-phenenyl)tris(azo)-tribenzenesulfonate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Trisodium 4,4',4''-(2,4-diamino-1,3,5-phenenyl)tris(azo)-tribenzenesulfonate has 2 hydrogen bond donor(s) and 17 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of Trisodium 4,4',4''-(2,4-diamino-1,3,5-phenenyl)tris(azo)-tribenzenesulfonate is 16386-22-4.
The molecular formula of Trisodium 4,4',4''-(2,4-diamino-1,3,5-phenenyl)tris(azo)-tribenzenesulfonate is C24H17N8Na3O9S3.
The molecular weight of Trisodium 4,4',4''-(2,4-diamino-1,3,5-phenenyl)tris(azo)-tribenzenesulfonate is 725.9974 g/mol.
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