TL;DR: PEG-3 Distearate (CAS 25062-49-1) is a chemical compound with molecular formula C42H82O6 and molecular weight 682.61115 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[2-(2-octadecanoyloxyethoxy)ethoxy]ethyl octadecanoate
Also Known As: PEG-3 Distearate, Triglycol distearate, CUTINA TS, PHOENATE 3 DSA, NIKKOL ESTEPEARL 30
Top 5 of 3 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C42H82O6 |
| Molecular Weight | 682.61115 g/mol |
| XLogP | 16.5 |
| Topological Polar Surface Area (TPSA) | 71.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 43 |
| Exact Mass | 682.61115 Da |
| Heavy Atoms | 48 |
| Complexity | 586.0 |
| SMILES | CCCCCCCCCCCCCCCCCC(=O)OCCOCCOCCOC(=O)CCCCCCCCCCCCCCCCC |
| InChIKey | YBRJTUFWBLSLHY-UHFFFAOYSA-N |
The XLogP value of 16.5 indicates that PEG-3 Distearate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 71.1 Ų falls within the moderate polarity range, balancing permeability and solubility for PEG-3 Distearate. Following Lipinski's Rule of Five, PEG-3 Distearate has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of PEG-3 Distearate is 25062-49-1.
The molecular formula of PEG-3 Distearate is C42H82O6.
The molecular weight of PEG-3 Distearate is 682.61115 g/mol.
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