TL;DR: Benzenesulfonic acid, 4-[(4-hydroxy-3,5-dimethylphenyl)azo]- (CAS 149007-23-8) is a chemical compound with molecular formula C14H14N2O4S and molecular weight 306.0674 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-[(4-hydroxy-3,5-dimethylphenyl)diazenyl]benzenesulfonic acid
Also Known As: 3-Chlor-6-phenoxy-pyridazin, Benzenesulfonic acid, 4-[(4-hydroxy-3,5-dimethylphenyl)azo]-, 3,5-dimethyl-4-hydroxy-azobenzene-4'-sulfonic acid, 4-(2,6-Dimethyl-4-hydroxyphenylazo)benzenesulfonic acid, 4-(4-Hydroxy-3,5-dimethylphenylazo)benzenesulfonic acid
| Molecular Formula | C14H14N2O4S |
| Molecular Weight | 306.0674 g/mol |
| XLogP | 2.8 |
| Topological Polar Surface Area (TPSA) | 108.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 306.0674 Da |
| Heavy Atoms | 21 |
| Complexity | 454.0 |
| SMILES | CC1=CC(=CC(=C1O)C)N=NC2=CC=C(C=C2)S(=O)(=O)O |
| InChIKey | WCVSLRCQCSEPED-UHFFFAOYSA-N |
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzenesulfonic acid, 4-[(4-hydroxy-3,5-dimethylphenyl)azo]-. The TPSA of 108.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzenesulfonic acid, 4-[(4-hydroxy-3,5-dimethylphenyl)azo]-. Following Lipinski's Rule of Five, Benzenesulfonic acid, 4-[(4-hydroxy-3,5-dimethylphenyl)azo]- has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of Benzenesulfonic acid, 4-[(4-hydroxy-3,5-dimethylphenyl)azo]- is 149007-23-8.
The molecular formula of Benzenesulfonic acid, 4-[(4-hydroxy-3,5-dimethylphenyl)azo]- is C14H14N2O4S.
The molecular weight of Benzenesulfonic acid, 4-[(4-hydroxy-3,5-dimethylphenyl)azo]- is 306.0674 g/mol.
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