TL;DR: 1,2-Benzenediol, 4-[(4-methylphenyl)sulfonyl]- (CAS 107065-85-0) is a chemical compound with molecular formula C13H12O4S and molecular weight 264.04562 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-(4-methylphenyl)sulfonylbenzene-1,2-diol
Also Known As: 4-Tosylcatechol, 4-Tosylbenzene-1,2-diol, 1,2-Benzenediol, 4-[(4-methylphenyl)sulfonyl]-, 4-(4-methylphenyl)sulfonylbenzene-1,2-diol, 4-(p-tolylsulfonyl)benzene-1,2-diol
| Molecular Formula | C13H12O4S |
| Molecular Weight | 264.04562 g/mol |
| XLogP | 2.4 |
| Topological Polar Surface Area (TPSA) | 83.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 264.04562 Da |
| Heavy Atoms | 18 |
| Complexity | 365.0 |
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)C2=CC(=C(C=C2)O)O |
| InChIKey | OGIVREKRNQXGTA-UHFFFAOYSA-N |
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,2-Benzenediol, 4-[(4-methylphenyl)sulfonyl]-. The TPSA of 83.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,2-Benzenediol, 4-[(4-methylphenyl)sulfonyl]-. Following Lipinski's Rule of Five, 1,2-Benzenediol, 4-[(4-methylphenyl)sulfonyl]- has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 1,2-Benzenediol, 4-[(4-methylphenyl)sulfonyl]- is 107065-85-0.
The molecular formula of 1,2-Benzenediol, 4-[(4-methylphenyl)sulfonyl]- is C13H12O4S.
The molecular weight of 1,2-Benzenediol, 4-[(4-methylphenyl)sulfonyl]- is 264.04562 g/mol.
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