2-acetyl-S-octadecyl-1-thioglycero-3-phosphocholine
TL;DR: 2-acetyl-S-octadecyl-1-thioglycero-3-phosphocholine (CAS 89314-81-8) is a chemical compound with molecular formula C28H58NO6PS and molecular weight 567.37 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-acetyloxy-3-octadecylsulfanylpropyl) 2-(trimethylazaniumyl)ethyl phosphate
Also Known As: Thio-paf, Thio-platelet activating factor, 2-Acetyl-S-octadecyl-1-thioglycero-3-phosphocholine, (2-acetyloxy-3-octadecylsulfanylpropyl) 2-(trimethylazaniumyl)ethyl phosphate, 3,5-Dioxa-9-thia-4-phosphaheptacosan-1-aminium, 7-(acetyloxy)-4-hydroxy-N,N,N-trimethyl-, hydroxide, inner salt, 4-oxide, (+-)-
| Molecular Formula | C28H58NO6PS |
|---|---|
| Molecular Weight | 567.37 g/mol |
| LogP | 8.4 |
| Topological Polar Surface Area | 110.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 28 |
| Exact Mass | 567.37225 |
| Heavy Atoms | 37 |
| Complexity | 579.0 |
Chemical Identifiers
| CAS Number | 89314-81-8 |
|---|---|
| SMILES | CCCCCCCCCCCCCCCCCCSCC(COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)C |
| InChIKey | DZOMRYLZWBYFLF-UHFFFAOYSA-N |
Product Overview
2-acetyl-S-octadecyl-1-thioglycero-3-phosphocholine (CAS 89314-81-8), with molecular formula C28H58NO6PS and molecular weight 567.37 g/mol. IUPAC: (2-acetyloxy-3-octadecylsulfanylpropyl) 2-(trimethylazaniumyl)ethyl phosphate.
Chemical Property Profile of 2-acetyl-S-octadecyl-1-thioglycero-3-phosphocholine
Property Insights of 2-acetyl-S-octadecyl-1-thioglycero-3-phosphocholine
The XLogP value of 8.4 indicates that 2-acetyl-S-octadecyl-1-thioglycero-3-phosphocholine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 110.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-acetyl-S-octadecyl-1-thioglycero-3-phosphocholine. Following Lipinski's Rule of Five, 2-acetyl-S-octadecyl-1-thioglycero-3-phosphocholine has 0 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-acetyl-S-octadecyl-1-thioglycero-3-phosphocholine?
The CAS number of 2-acetyl-S-octadecyl-1-thioglycero-3-phosphocholine is 89314-81-8.
What is the molecular formula of 2-acetyl-S-octadecyl-1-thioglycero-3-phosphocholine?
The molecular formula of 2-acetyl-S-octadecyl-1-thioglycero-3-phosphocholine is C28H58NO6PS.
What is the molecular weight of 2-acetyl-S-octadecyl-1-thioglycero-3-phosphocholine?
The molecular weight of 2-acetyl-S-octadecyl-1-thioglycero-3-phosphocholine is 567.37 g/mol.
Where can I buy 2-acetyl-S-octadecyl-1-thioglycero-3-phosphocholine?
You can request a quote for 2-acetyl-S-octadecyl-1-thioglycero-3-phosphocholine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-acetyl-S-octadecyl-1-thioglycero-3-phosphocholine?
Yes, KEHONG BIO provides custom synthesis services for 2-acetyl-S-octadecyl-1-thioglycero-3-phosphocholine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.