1-O-hexadecyl-2-acetyl-3-thiophosphocholine
TL;DR: 1-O-hexadecyl-2-acetyl-3-thiophosphocholine (CAS 110786-03-3) is a chemical compound with molecular formula C26H54NO6PS and molecular weight 539.34094 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[[(2R)-2-acetyloxy-3-hexadecoxypropoxy]-oxidophosphinothioyl]oxyethyl-trimethylazanium
Also Known As: Agepsc, 1-O-Hexadecyl-2-acetyl-3-thiophosphocholine, 2-[[(2R)-2-acetyloxy-3-hexadecoxypropoxy]-oxidophosphinothioyl]oxyethyl-trimethylazanium, 3,5,9-Trioxa-4-phosphapentacosan-1-aminium, 7-(acetyloxy)-4-mercapto-N,N,N-trimethyl-, hydroxide, inner salt, 4-oxide, (R-(R*,R*))-, O-[2-(Acetyloxy)-3-(hexadecyloxy)propyl] O-[2-(trimethylazaniumyl)ethyl] phosphorothioate
Technical Specifications
| Molecular Formula | C26H54NO6PS |
| Molecular Weight | 539.34094 g/mol |
| XLogP | 8.2 |
| Topological Polar Surface Area (TPSA) | 109.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 26 |
| Exact Mass | 539.34094 Da |
| Heavy Atoms | 35 |
| Complexity | 558.0 |
| SMILES | CCCCCCCCCCCCCCCCOC[C@H](COP(=S)([O-])OCC[N+](C)(C)C)OC(=O)C |
| InChIKey | WTHJKMQTIRLHSW-URAFEBPUSA-N |
Chemical Property Profile of 1-O-hexadecyl-2-acetyl-3-thiophosphocholine
Property Insights of 1-O-hexadecyl-2-acetyl-3-thiophosphocholine
The XLogP value of 8.2 indicates that 1-O-hexadecyl-2-acetyl-3-thiophosphocholine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 109.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-O-hexadecyl-2-acetyl-3-thiophosphocholine. Following Lipinski's Rule of Five, 1-O-hexadecyl-2-acetyl-3-thiophosphocholine has 0 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of 1-O-hexadecyl-2-acetyl-3-thiophosphocholine?
The CAS number of 1-O-hexadecyl-2-acetyl-3-thiophosphocholine is 110786-03-3.
What is the molecular formula of 1-O-hexadecyl-2-acetyl-3-thiophosphocholine?
The molecular formula of 1-O-hexadecyl-2-acetyl-3-thiophosphocholine is C26H54NO6PS.
What is the molecular weight of 1-O-hexadecyl-2-acetyl-3-thiophosphocholine?
The molecular weight of 1-O-hexadecyl-2-acetyl-3-thiophosphocholine is 539.34094 g/mol.
Where can I buy 1-O-hexadecyl-2-acetyl-3-thiophosphocholine?
You can request a quote for 1-O-hexadecyl-2-acetyl-3-thiophosphocholine directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-O-hexadecyl-2-acetyl-3-thiophosphocholine?
Yes, CoreyChem provides custom synthesis services for 1-O-hexadecyl-2-acetyl-3-thiophosphocholine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.