TL;DR: 5-[[4-(Dimethylamino)-3-sulfophenyl]diazenyl]benzene-1,3-disulfonic acid (CAS 125165-75-5) is a chemical compound with molecular formula C14H15N3O9S3 and molecular weight 464.99704 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-[[4-(dimethylamino)-3-sulfophenyl]diazenyl]benzene-1,3-disulfonic acid
Also Known As: DMBA-5,10-disulfonic acid, 5-[[4-(dimethylamino)-3-sulfophenyl]diazenyl]benzene-1,3-disulfonic acid, 1,3-Benzenedisulfonicacid, 5-[2-[4-(dimethylamino)-3-sulfophenyl]diazenyl]-, 1,3-Benzenedisulfonicacid,5-[2-[4-(dimethylamino)-3-sulfophenyl]diazenyl], 5-(4-dimethylamino-3-sulfo-phenyl)diazenylbenzene-1,3-disulfonic Acid
| Molecular Formula | C14H15N3O9S3 |
| Molecular Weight | 464.99704 g/mol |
| XLogP | 0.1 |
| Topological Polar Surface Area (TPSA) | 216.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 6 |
| Exact Mass | 464.99704 Da |
| Heavy Atoms | 29 |
| Complexity | 874.0 |
| SMILES | CN(C)C1=C(C=C(C=C1)N=NC2=CC(=CC(=C2)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O |
| InChIKey | QHCURHIBIIBPGC-UHFFFAOYSA-N |
The XLogP value of 0.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-[[4-(Dimethylamino)-3-sulfophenyl]diazenyl]benzene-1,3-disulfonic acid. The TPSA of 216.0 Ų indicates high polarity, suggesting 5-[[4-(Dimethylamino)-3-sulfophenyl]diazenyl]benzene-1,3-disulfonic acid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 5-[[4-(Dimethylamino)-3-sulfophenyl]diazenyl]benzene-1,3-disulfonic acid has 3 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 5-[[4-(Dimethylamino)-3-sulfophenyl]diazenyl]benzene-1,3-disulfonic acid is 125165-75-5.
The molecular formula of 5-[[4-(Dimethylamino)-3-sulfophenyl]diazenyl]benzene-1,3-disulfonic acid is C14H15N3O9S3.
The molecular weight of 5-[[4-(Dimethylamino)-3-sulfophenyl]diazenyl]benzene-1,3-disulfonic acid is 464.99704 g/mol.
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