1-S-Phosphocholine-2-O-hexadecanoyl-1-mercapto-2-ethanol
TL;DR: 1-S-Phosphocholine-2-O-hexadecanoyl-1-mercapto-2-ethanol (CAS 95210-42-7) is a chemical compound with molecular formula C23H48NO5PS and molecular weight 481.30 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-hexadecanoyloxyethylsulfanyl-[2-(trimethylazaniumyl)ethoxy]phosphinate
Also Known As: 1-Pchme, 2-hexadecanoyloxyethylsulfanyl-[2-(trimethylazaniumyl)ethoxy]phosphinate, 1-S-Phosphocholine-2-O-hexadecanoyl-1-mercapto-2-ethanol, s-[2-(hexadecanoyloxy)ethyl] o-[2-(trimethylammonio)ethyl] phosphorothioate, 2-hexadecanoyloxyethylsulfanyl-(2-trimethylazaniumylethoxy)phosphinate
| Molecular Formula | C23H48NO5PS |
|---|---|
| Molecular Weight | 481.30 g/mol |
| LogP | 6.6 |
| Topological Polar Surface Area | 101.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 23 |
| Exact Mass | 481.29907 |
| Heavy Atoms | 31 |
| Complexity | 477.0 |
Chemical Identifiers
| CAS Number | 95210-42-7 |
|---|---|
| SMILES | CCCCCCCCCCCCCCCC(=O)OCCSP(=O)([O-])OCC[N+](C)(C)C |
| InChIKey | PCICYOAOTCVMAL-UHFFFAOYSA-N |
Product Overview
1-S-Phosphocholine-2-O-hexadecanoyl-1-mercapto-2-ethanol (CAS 95210-42-7), with molecular formula C23H48NO5PS and molecular weight 481.30 g/mol. IUPAC: 2-hexadecanoyloxyethylsulfanyl-[2-(trimethylazaniumyl)ethoxy]phosphinate.
Chemical Property Profile of 1-S-Phosphocholine-2-O-hexadecanoyl-1-mercapto-2-ethanol
Property Insights of 1-S-Phosphocholine-2-O-hexadecanoyl-1-mercapto-2-ethanol
The XLogP value of 6.6 indicates that 1-S-Phosphocholine-2-O-hexadecanoyl-1-mercapto-2-ethanol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 101.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-S-Phosphocholine-2-O-hexadecanoyl-1-mercapto-2-ethanol. Following Lipinski's Rule of Five, 1-S-Phosphocholine-2-O-hexadecanoyl-1-mercapto-2-ethanol has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1-S-Phosphocholine-2-O-hexadecanoyl-1-mercapto-2-ethanol?
The CAS number of 1-S-Phosphocholine-2-O-hexadecanoyl-1-mercapto-2-ethanol is 95210-42-7.
What is the molecular formula of 1-S-Phosphocholine-2-O-hexadecanoyl-1-mercapto-2-ethanol?
The molecular formula of 1-S-Phosphocholine-2-O-hexadecanoyl-1-mercapto-2-ethanol is C23H48NO5PS.
What is the molecular weight of 1-S-Phosphocholine-2-O-hexadecanoyl-1-mercapto-2-ethanol?
The molecular weight of 1-S-Phosphocholine-2-O-hexadecanoyl-1-mercapto-2-ethanol is 481.30 g/mol.
Where can I buy 1-S-Phosphocholine-2-O-hexadecanoyl-1-mercapto-2-ethanol?
You can request a quote for 1-S-Phosphocholine-2-O-hexadecanoyl-1-mercapto-2-ethanol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-S-Phosphocholine-2-O-hexadecanoyl-1-mercapto-2-ethanol?
Yes, KEHONG BIO provides custom synthesis services for 1-S-Phosphocholine-2-O-hexadecanoyl-1-mercapto-2-ethanol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.