2-Hexadecylthioethyl phosphocholine
TL;DR: 2-Hexadecylthioethyl phosphocholine (CAS 131933-54-5) is a chemical compound with molecular formula C23H50NO4PS and molecular weight 467.31982 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-hexadecylsulfanylethyl 2-(trimethylazaniumyl)ethyl phosphate
Also Known As: 2-Carbon lipid analog, 2-Hexadecylthioethyl phosphocholine, 2-hexadecylsulfanylethyl 2-(trimethylazaniumyl)ethyl phosphate, 3,5-Dioxa-8-thia-4-phosphatetracosan-1-aminium, 4-hydroxy-N,N,N-trimethyl-, inner salt, 4-oxide, 2-(Hexadecylsulfanyl)ethyl 2-(trimethylazaniumyl)ethyl phosphate
Application Areas
Top 5 of 1 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C23H50NO4PS |
| Molecular Weight | 467.31982 g/mol |
| XLogP | 7.4 |
| Topological Polar Surface Area (TPSA) | 83.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 23 |
| Exact Mass | 467.31982 Da |
| Heavy Atoms | 30 |
| Complexity | 410.0 |
| SMILES | CCCCCCCCCCCCCCCCSCCOP(=O)([O-])OCC[N+](C)(C)C |
| InChIKey | QMZUWVWTSXKAJU-UHFFFAOYSA-N |
Chemical Property Profile of 2-Hexadecylthioethyl phosphocholine
Property Insights of 2-Hexadecylthioethyl phosphocholine
The XLogP value of 7.4 indicates that 2-Hexadecylthioethyl phosphocholine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 83.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Hexadecylthioethyl phosphocholine. Following Lipinski's Rule of Five, 2-Hexadecylthioethyl phosphocholine has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of 2-Hexadecylthioethyl phosphocholine?
The CAS number of 2-Hexadecylthioethyl phosphocholine is 131933-54-5.
What is the molecular formula of 2-Hexadecylthioethyl phosphocholine?
The molecular formula of 2-Hexadecylthioethyl phosphocholine is C23H50NO4PS.
What is the molecular weight of 2-Hexadecylthioethyl phosphocholine?
The molecular weight of 2-Hexadecylthioethyl phosphocholine is 467.31982 g/mol.
Where can I buy 2-Hexadecylthioethyl phosphocholine?
You can request a quote for 2-Hexadecylthioethyl phosphocholine directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-Hexadecylthioethyl phosphocholine?
Yes, CoreyChem provides custom synthesis services for 2-Hexadecylthioethyl phosphocholine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.