2,3-Diacetyloxypropyl 2-(trimethylazaniumyl)ethyl phosphate
TL;DR: 2,3-Diacetyloxypropyl 2-(trimethylazaniumyl)ethyl phosphate (CAS 54672-38-7) is a chemical compound with molecular formula C12H24NO8P and molecular weight 341.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,3-diacetyloxypropyl 2-(trimethylazaniumyl)ethyl phosphate
Also Known As: Diacetyl-L-Glycerophosphorylcholine, PC 4:0, 2-(2,3-diacetyloxypropoxy-oxido-phosphoryl)oxyethyl-trimethyl-azanium, 3,5,9-Trioxa-4-phosphaundecan-1-aminium,7-(acetyloxy)-4-hydroxy-N,N,N-trimethyl-10-oxo-,innersalt,4-oxide(9CI], 3,5,9-Trioxa-4-phosphaundecan-1-aminium, 7-(acetyloxy)-4-hydroxy-N,N,N-trimethyl-10-oxo-, inner salt, 4-oxide
| Molecular Formula | C12H24NO8P |
|---|---|
| Molecular Weight | 341.12 g/mol |
| LogP | -0.311 |
| Topological Polar Surface Area | 111.19 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 10 |
| Exact Mass | 341.12396 |
| Heavy Atoms | 22 |
| Complexity | 419.83954 |
Chemical Identifiers
| CAS Number | 54672-38-7 |
|---|---|
| SMILES | CC(=O)OCC(COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)C |
Product Overview
2,3-Diacetyloxypropyl 2-(trimethylazaniumyl)ethyl phosphate (CAS 54672-38-7), with molecular formula C12H24NO8P and molecular weight 341.12 g/mol. IUPAC: 2,3-diacetyloxypropyl 2-(trimethylazaniumyl)ethyl phosphate.
Chemical Property Profile of 2,3-Diacetyloxypropyl 2-(trimethylazaniumyl)ethyl phosphate
Property Insights of 2,3-Diacetyloxypropyl 2-(trimethylazaniumyl)ethyl phosphate
The XLogP value of -0.311 indicates that 2,3-Diacetyloxypropyl 2-(trimethylazaniumyl)ethyl phosphate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 111.19 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,3-Diacetyloxypropyl 2-(trimethylazaniumyl)ethyl phosphate. Following Lipinski's Rule of Five, 2,3-Diacetyloxypropyl 2-(trimethylazaniumyl)ethyl phosphate has 0 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2,3-Diacetyloxypropyl 2-(trimethylazaniumyl)ethyl phosphate?
The CAS number of 2,3-Diacetyloxypropyl 2-(trimethylazaniumyl)ethyl phosphate is 54672-38-7.
What is the molecular formula of 2,3-Diacetyloxypropyl 2-(trimethylazaniumyl)ethyl phosphate?
The molecular formula of 2,3-Diacetyloxypropyl 2-(trimethylazaniumyl)ethyl phosphate is C12H24NO8P.
What is the molecular weight of 2,3-Diacetyloxypropyl 2-(trimethylazaniumyl)ethyl phosphate?
The molecular weight of 2,3-Diacetyloxypropyl 2-(trimethylazaniumyl)ethyl phosphate is 341.12 g/mol.
Where can I buy 2,3-Diacetyloxypropyl 2-(trimethylazaniumyl)ethyl phosphate?
You can request a quote for 2,3-Diacetyloxypropyl 2-(trimethylazaniumyl)ethyl phosphate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,3-Diacetyloxypropyl 2-(trimethylazaniumyl)ethyl phosphate?
Yes, KEHONG BIO provides custom synthesis services for 2,3-Diacetyloxypropyl 2-(trimethylazaniumyl)ethyl phosphate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.