TL;DR: 3-((3-((2,4-Dihydroxyphenyl)azo)-4-hydroxyphenyl)azo)benzenesulphonic acid (CAS 94086-88-1) is a chemical compound with molecular formula C18H14N4O6S and molecular weight 414.06342 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-[[3-[(2,4-dihydroxyphenyl)diazenyl]-4-hydroxyphenyl]diazenyl]benzenesulfonic acid
Also Known As: EINECS 301-879-6, 3-((3-((2,4-Dihydroxyphenyl)azo)-4-hydroxyphenyl)azo)benzenesulphonic acid, 3-[[3-[azo]-4-hydroxyphenyl]azo]benzenesulphonicacid, 3-[[3-[ azo]-4-hydroxyphenyl]azo]benzenesulphonicacid, 3-[[3-[(2,4-Dihydroxyphenyl)azo]-4-hydroxyphenyl]azo]benzenesulfonic acid
| Molecular Formula | C18H14N4O6S |
| Molecular Weight | 414.06342 g/mol |
| XLogP | 3.2 |
| Topological Polar Surface Area (TPSA) | 173.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 5 |
| Exact Mass | 414.06342 Da |
| Heavy Atoms | 29 |
| Complexity | 697.0 |
| SMILES | C1=CC(=CC(=C1)S(=O)(=O)O)N=NC2=CC(=C(C=C2)O)N=NC3=C(C=C(C=C3)O)O |
| InChIKey | NBCDLQXSUBYGEE-UHFFFAOYSA-N |
The XLogP value of 3.2 indicates that 3-((3-((2,4-Dihydroxyphenyl)azo)-4-hydroxyphenyl)azo)benzenesulphonic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 173.0 Ų indicates high polarity, suggesting 3-((3-((2,4-Dihydroxyphenyl)azo)-4-hydroxyphenyl)azo)benzenesulphonic acid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 3-((3-((2,4-Dihydroxyphenyl)azo)-4-hydroxyphenyl)azo)benzenesulphonic acid has 4 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 3-((3-((2,4-Dihydroxyphenyl)azo)-4-hydroxyphenyl)azo)benzenesulphonic acid is 94086-88-1.
The molecular formula of 3-((3-((2,4-Dihydroxyphenyl)azo)-4-hydroxyphenyl)azo)benzenesulphonic acid is C18H14N4O6S.
The molecular weight of 3-((3-((2,4-Dihydroxyphenyl)azo)-4-hydroxyphenyl)azo)benzenesulphonic acid is 414.06342 g/mol.
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