TL;DR: 1-Thiohexadecyl-2-ethyl-glycero-3-phosphocholine (CAS 103304-64-9) is a chemical compound with molecular formula C26H56NO5PS and molecular weight 525.3617 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2-ethoxy-3-hexadecylsulfanylpropyl) 2-(trimethylazaniumyl)ethyl phosphate
Also Known As: Ether lipid, TEGP, CP-53(ET-16S-OEt), 1-Thiahexadecyl-2-ethyl-glycero-3-phosphocholine, 1-Thiohexadecyl-2-ethyl-glycero-3-phosphocholine
| Molecular Formula | C26H56NO5PS |
| Molecular Weight | 525.3617 g/mol |
| XLogP | 7.6 |
| Topological Polar Surface Area (TPSA) | 93.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 26 |
| Exact Mass | 525.3617 Da |
| Heavy Atoms | 34 |
| Complexity | 482.0 |
| SMILES | CCCCCCCCCCCCCCCCSCC(COP(=O)([O-])OCC[N+](C)(C)C)OCC |
| InChIKey | BXWFBXZXSGLVPU-UHFFFAOYSA-N |
The XLogP value of 7.6 indicates that 1-Thiohexadecyl-2-ethyl-glycero-3-phosphocholine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 93.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Thiohexadecyl-2-ethyl-glycero-3-phosphocholine. Following Lipinski's Rule of Five, 1-Thiohexadecyl-2-ethyl-glycero-3-phosphocholine has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 1-Thiohexadecyl-2-ethyl-glycero-3-phosphocholine is 103304-64-9.
The molecular formula of 1-Thiohexadecyl-2-ethyl-glycero-3-phosphocholine is C26H56NO5PS.
The molecular weight of 1-Thiohexadecyl-2-ethyl-glycero-3-phosphocholine is 525.3617 g/mol.
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