O-(2-Acetylamino-3-(3,6-dioxaoctadecylthio)propyl)cholinphosphate
TL;DR: O-(2-Acetylamino-3-(3,6-dioxaoctadecylthio)propyl)cholinphosphate (CAS 131574-83-9) is a chemical compound with molecular formula C26H55N2O5PS and molecular weight 538.36 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-acetamido-3-hexadecylsulfanylpropyl) 2-(trimethylazaniumyl)ethyl phosphate
Also Known As: O-(2-Acetylamino-3-(3,6-dioxaoctadecylthio)propyl)cholinphosphate, 3,5-Dioxa-9-thia-4-phosphapentacosan-1-aminium, 7-(acetylamino)-4-hydroxy-N,N,N-trimethyl-, inner salt, 4-oxide, (2-acetamido-3-hexadecylsulfanylpropyl) 2-(trimethylazaniumyl)ethyl phosphate, 2-[(2-acetamido-3-hexadecylsulfanyl-propoxy)-oxido-phosphoryl]oxyethyl-trimethyl-azanium, 3-(Hexadecylsulfanyl)-2-[(1-hydroxyethylidene)amino]propyl 2-(trimethylazaniumyl)ethyl phosphate
| Molecular Formula | C26H55N2O5PS |
|---|---|
| Molecular Weight | 538.36 g/mol |
| LogP | 6.7 |
| Topological Polar Surface Area | 113.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 25 |
| Exact Mass | 538.35693 |
| Heavy Atoms | 35 |
| Complexity | 552.0 |
Chemical Identifiers
| CAS Number | 131574-83-9 |
|---|---|
| SMILES | CCCCCCCCCCCCCCCCSCC(COP(=O)([O-])OCC[N+](C)(C)C)NC(=O)C |
| InChIKey | SJWOYCQOKZEFET-UHFFFAOYSA-N |
Product Overview
O-(2-Acetylamino-3-(3,6-dioxaoctadecylthio)propyl)cholinphosphate (CAS 131574-83-9), with molecular formula C26H55N2O5PS and molecular weight 538.36 g/mol. IUPAC: (2-acetamido-3-hexadecylsulfanylpropyl) 2-(trimethylazaniumyl)ethyl phosphate.
Chemical Property Profile of O-(2-Acetylamino-3-(3,6-dioxaoctadecylthio)propyl)cholinphosphate
Property Insights of O-(2-Acetylamino-3-(3,6-dioxaoctadecylthio)propyl)cholinphosphate
The XLogP value of 6.7 indicates that O-(2-Acetylamino-3-(3,6-dioxaoctadecylthio)propyl)cholinphosphate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 113.0 Ų falls within the moderate polarity range, balancing permeability and solubility for O-(2-Acetylamino-3-(3,6-dioxaoctadecylthio)propyl)cholinphosphate. Following Lipinski's Rule of Five, O-(2-Acetylamino-3-(3,6-dioxaoctadecylthio)propyl)cholinphosphate has 1 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 O-(2-Acetylamino-3-(3,6-dioxaoctadecylthio)propyl)cholinphosphate?
The CAS number of O-(2-Acetylamino-3-(3,6-dioxaoctadecylthio)propyl)cholinphosphate is 131574-83-9.
What is the molecular formula of O-(2-Acetylamino-3-(3,6-dioxaoctadecylthio)propyl)cholinphosphate?
The molecular formula of O-(2-Acetylamino-3-(3,6-dioxaoctadecylthio)propyl)cholinphosphate is C26H55N2O5PS.
What is the molecular weight of O-(2-Acetylamino-3-(3,6-dioxaoctadecylthio)propyl)cholinphosphate?
The molecular weight of O-(2-Acetylamino-3-(3,6-dioxaoctadecylthio)propyl)cholinphosphate is 538.36 g/mol.
Where can I buy O-(2-Acetylamino-3-(3,6-dioxaoctadecylthio)propyl)cholinphosphate?
You can request a quote for O-(2-Acetylamino-3-(3,6-dioxaoctadecylthio)propyl)cholinphosphate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for O-(2-Acetylamino-3-(3,6-dioxaoctadecylthio)propyl)cholinphosphate?
Yes, KEHONG BIO provides custom synthesis services for O-(2-Acetylamino-3-(3,6-dioxaoctadecylthio)propyl)cholinphosphate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.