TL;DR: Z3B2F0E8HX (CAS 67874-60-6) is a chemical compound with molecular formula C28H20N6Na2O7 and molecular weight 598.1189 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
disodium;5-[[4-[[4-[(3-carboxylato-4-hydroxyphenyl)diazenyl]phenyl]carbamoylamino]phenyl]diazenyl]-2-hydroxy-3-methylbenzoate
Also Known As: Disodium 5-((4-((((4-((3-carboxylato-4-hydroxyphenyl)azo)phenyl)amino)carbonyl)amino)phenyl)azo)-3-methylsalicylate, Benzoic acid, 5-((4-((((4-((3-carboxy-4-hydroxyphenyl)azo)phenyl)amino)carbonyl)amino)phenyl)azo)-2-hydroxy-3-methyl-, disodium salt, Benzoic acid, 5-[[4-[[[[4-[(3-carboxy-4-hydroxyphenyl)azo]phenyl]amino]carbonyl]amino]phenyl]azo]-2-hydroxy-3-methyl-, disodium salt, Benzoic acid, 5-(2-(4-((((4-(2-(3-carboxy-4-hydroxyphenyl)diazenyl)phenyl)amino)carbonyl)amino)phenyl)diazenyl)-2-hydroxy-3-methyl-, sodium salt (1:2), Disodium 5-[[4-[[[[4-[(3-carboxylato-4-hydroxyphenyl)azo]phenyl]amino]carbonyl]amino]phenyl]azo]-3-methylsalicylate
| Molecular Formula | C28H20N6Na2O7 |
| Molecular Weight | 598.1189 g/mol |
| XLogP | -1.38 |
| Topological Polar Surface Area (TPSA) | 211.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 6 |
| Exact Mass | 598.1189 Da |
| Heavy Atoms | 43 |
| Complexity | 953.0 |
| SMILES | CC1=CC(=CC(=C1O)C(=O)[O-])N=NC2=CC=C(C=C2)NC(=O)NC3=CC=C(C=C3)N=NC4=CC(=C(C=C4)O)C(=O)[O-].[Na+].[Na+] |
| InChIKey | AUMQNJSSSLVXEE-UHFFFAOYSA-L |
The XLogP value of -1.38 indicates that Z3B2F0E8HX is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 211.0 Ų indicates high polarity, suggesting Z3B2F0E8HX may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Z3B2F0E8HX has 4 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of Z3B2F0E8HX is 67874-60-6.
The molecular formula of Z3B2F0E8HX is C28H20N6Na2O7.
The molecular weight of Z3B2F0E8HX is 598.1189 g/mol.
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