TL;DR: C12-alkyl-7-ethoxy-sulfate (CAS 731749-38-5) is a chemical compound with molecular formula C26H54O11S and molecular weight 574.3387 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[2-[2-[2-[2-[2-(2-dodecoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl hydrogen sulfate
Also Known As: C12-alkyl-7-ethoxy-sulfate, C12-AE7S, 3,6,9,12,15,18,21-heptaoxatritriacontyl sulfate, 2-[2-[2-[2-[2-[2-(2-dodecoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl hydrogen sulfate, 3,6,9,12,15,18,21-Heptaoxatritriacontan-1-ol, hydrogen sulfate
| Molecular Formula | C26H54O11S |
| Molecular Weight | 574.3387 g/mol |
| XLogP | 3.7 |
| Topological Polar Surface Area (TPSA) | 137.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 33 |
| Exact Mass | 574.3387 Da |
| Heavy Atoms | 38 |
| Complexity | 544.0 |
| SMILES | CCCCCCCCCCCCOCCOCCOCCOCCOCCOCCOCCOS(=O)(=O)O |
| InChIKey | FZACGOAIMANYDC-UHFFFAOYSA-N |
The XLogP value of 3.7 indicates that C12-alkyl-7-ethoxy-sulfate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 137.0 Ų falls within the moderate polarity range, balancing permeability and solubility for C12-alkyl-7-ethoxy-sulfate. Following Lipinski's Rule of Five, C12-alkyl-7-ethoxy-sulfate has 1 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of C12-alkyl-7-ethoxy-sulfate is 731749-38-5.
The molecular formula of C12-alkyl-7-ethoxy-sulfate is C26H54O11S.
The molecular weight of C12-alkyl-7-ethoxy-sulfate is 574.3387 g/mol.
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