TL;DR: 3-Hydroxy-4-[2-(2,4,5-trimethylphenyl)diazenyl]-2,7-naphthalenedisulfonic acid (CAS 25738-43-6) is a chemical compound with molecular formula C19H18N2O7S2 and molecular weight 450.05554 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-hydroxy-4-[(2,4,5-trimethylphenyl)diazenyl]naphthalene-2,7-disulfonic acid
Also Known As: Ponceau 3R free acid, Food Red 6 free acid, C.I. Food Red 6, PONCEAU 3R, FD and C Red No. 1
| Molecular Formula | C19H18N2O7S2 |
| Molecular Weight | 450.05554 g/mol |
| XLogP | 3.7 |
| Topological Polar Surface Area (TPSA) | 170.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 4 |
| Exact Mass | 450.05554 Da |
| Heavy Atoms | 30 |
| Complexity | 849.0 |
| SMILES | CC1=CC(=C(C=C1C)N=NC2=C3C=CC(=CC3=CC(=C2O)S(=O)(=O)O)S(=O)(=O)O)C |
| InChIKey | OQQYJPVCDFFEIV-UHFFFAOYSA-N |
The XLogP value of 3.7 indicates that 3-Hydroxy-4-[2-(2,4,5-trimethylphenyl)diazenyl]-2,7-naphthalenedisulfonic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 170.0 Ų indicates high polarity, suggesting 3-Hydroxy-4-[2-(2,4,5-trimethylphenyl)diazenyl]-2,7-naphthalenedisulfonic acid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 3-Hydroxy-4-[2-(2,4,5-trimethylphenyl)diazenyl]-2,7-naphthalenedisulfonic acid has 3 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 3-Hydroxy-4-[2-(2,4,5-trimethylphenyl)diazenyl]-2,7-naphthalenedisulfonic acid is 25738-43-6.
The molecular formula of 3-Hydroxy-4-[2-(2,4,5-trimethylphenyl)diazenyl]-2,7-naphthalenedisulfonic acid is C19H18N2O7S2.
The molecular weight of 3-Hydroxy-4-[2-(2,4,5-trimethylphenyl)diazenyl]-2,7-naphthalenedisulfonic acid is 450.05554 g/mol.
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