TL;DR: Benzenesulfonic acid, 4-sec-undecyl- (CAS 124743-20-0) is a chemical compound with molecular formula C17H28O3S and molecular weight 312.1759 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-undecan-2-ylbenzenesulfonic acid
Also Known As: Benzenesulfonic acid, 4-sec-undecyl-, 10-(4-Sulfophenyl)undecane, 4-undecan-2-ylbenzenesulfonic Acid, Benzenesulfonic acid,4-sec-undecyl, 4-(1-Methyldecyl)benzenesulfonic acid
| Molecular Formula | C17H28O3S |
| Molecular Weight | 312.1759 g/mol |
| XLogP | 6.1 |
| Topological Polar Surface Area (TPSA) | 62.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 10 |
| Exact Mass | 312.1759 Da |
| Heavy Atoms | 21 |
| Complexity | 351.0 |
| SMILES | CCCCCCCCCC(C)C1=CC=C(C=C1)S(=O)(=O)O |
| InChIKey | WBMNOQLPFPMDME-UHFFFAOYSA-N |
The XLogP value of 6.1 indicates that Benzenesulfonic acid, 4-sec-undecyl- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 62.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzenesulfonic acid, 4-sec-undecyl-. Following Lipinski's Rule of Five, Benzenesulfonic acid, 4-sec-undecyl- has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of Benzenesulfonic acid, 4-sec-undecyl- is 124743-20-0.
The molecular formula of Benzenesulfonic acid, 4-sec-undecyl- is C17H28O3S.
The molecular weight of Benzenesulfonic acid, 4-sec-undecyl- is 312.1759 g/mol.
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