TL;DR: Phenol, 4,4'-sulfonylbis[2,6-dimethyl- (CAS 13288-70-5) is a chemical compound with molecular formula C16H18O4S and molecular weight 306.0926 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-(4-hydroxy-3,5-dimethylphenyl)sulfonyl-2,6-dimethylphenol
Also Known As: Bis(4-hydroxy-3,5-dimethylphenyl) Sulfone, Phenol, 4,4'-sulfonylbis[2,6-dimethyl-, 4,4'-Sulfonylbis(2,6-dimethylphenol), 3,4-Dinitrochlorobenzene, Bis(3,5-dimethyl-4-hydroxyphenyl) Sulfone
Top 5 of 16 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C16H18O4S |
| Molecular Weight | 306.0926 g/mol |
| XLogP | 3.5 |
| Topological Polar Surface Area (TPSA) | 83.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 306.0926 Da |
| Heavy Atoms | 21 |
| Complexity | 395.0 |
| SMILES | CC1=CC(=CC(=C1O)C)S(=O)(=O)C2=CC(=C(C(=C2)C)O)C |
| InChIKey | SUCTVKDVODFXFX-UHFFFAOYSA-N |
The XLogP value of 3.5 indicates that Phenol, 4,4'-sulfonylbis[2,6-dimethyl- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 83.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Phenol, 4,4'-sulfonylbis[2,6-dimethyl-. Following Lipinski's Rule of Five, Phenol, 4,4'-sulfonylbis[2,6-dimethyl- 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 Phenol, 4,4'-sulfonylbis[2,6-dimethyl- is 13288-70-5.
The molecular formula of Phenol, 4,4'-sulfonylbis[2,6-dimethyl- is C16H18O4S.
The molecular weight of Phenol, 4,4'-sulfonylbis[2,6-dimethyl- is 306.0926 g/mol.
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