TL;DR: Chlorosulfurous acid, 2-(p-t-butylphenoxy)cyclohexyl ester (CAS 3021-31-6) is a chemical compound with molecular formula C16H23ClO3S and molecular weight 330.10565 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-tert-butyl-4-(2-chlorosulfinyloxycyclohexyl)oxybenzene
Also Known As: 2-(p-tert-Butylphenoxy)cyclohexyl chlorosulphite, 2(ptertButylphenoxy)cyclohexyl chlorosulphite, Chlorosulfurous acid, 2-[4-(1,1-dimethylethyl)phenoxy]cyclohexyl ester, 2-(p-tert-Butylphenoxy)cyclohexyl chlorosulfite, Chlorosulfurous acid, 2-(p-t-butylphenoxy)cyclohexyl ester
| Molecular Formula | C16H23ClO3S |
| Molecular Weight | 330.10565 g/mol |
| XLogP | 5.5 |
| Topological Polar Surface Area (TPSA) | 54.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 330.10565 Da |
| Heavy Atoms | 21 |
| Complexity | 348.0 |
| SMILES | CC(C)(C)C1=CC=C(C=C1)OC2CCCCC2OS(=O)Cl |
| InChIKey | WAAUJYWIXWENKQ-UHFFFAOYSA-N |
The XLogP value of 5.5 indicates that Chlorosulfurous acid, 2-(p-t-butylphenoxy)cyclohexyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.7 Ų, Chlorosulfurous acid, 2-(p-t-butylphenoxy)cyclohexyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Chlorosulfurous acid, 2-(p-t-butylphenoxy)cyclohexyl ester has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of Chlorosulfurous acid, 2-(p-t-butylphenoxy)cyclohexyl ester is 3021-31-6.
The molecular formula of Chlorosulfurous acid, 2-(p-t-butylphenoxy)cyclohexyl ester is C16H23ClO3S.
The molecular weight of Chlorosulfurous acid, 2-(p-t-butylphenoxy)cyclohexyl ester is 330.10565 g/mol.
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