rac-3-Octadecanureido-2-ethoxypropyl phosphocholine
TL;DR: rac-3-Octadecanureido-2-ethoxypropyl phosphocholine (CAS 112989-09-0) is a chemical compound with molecular formula C29H62N3O6P and molecular weight 579.44 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-ethoxy-3-(octadecylcarbamoylamino)propyl] 2-(trimethylazaniumyl)ethyl phosphate
Also Known As: Ureido-phosphoether lipid analog, rac-3-Octadecanureido-2-ethoxypropyl phosphocholine, 3,5-Dioxa-9,11-diaza-4-phosphanonacosan-1-aminium, 7-ethoxy-4-hydroxy-N,N,N-trimethyl-10-oxo-, inner salt, 4-oxide, (1)-, [2-ethoxy-3-(octadecylcarbamoylamino)propyl] 2-(trimethylazaniumyl)ethyl phosphate, 2-[[2-ethoxy-3-(octadecylcarbamoylamino)propoxy]-hydroxy-phosphoryl]oxyethyl-trimethyl-ammonium
| Molecular Formula | C29H62N3O6P |
|---|---|
| Molecular Weight | 579.44 g/mol |
| LogP | 7.2 |
| Topological Polar Surface Area | 109.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 28 |
| Exact Mass | 579.4376 |
| Heavy Atoms | 39 |
| Complexity | 610.0 |
Chemical Identifiers
| CAS Number | 112989-09-0 |
|---|---|
| SMILES | CCCCCCCCCCCCCCCCCCNC(=O)NCC(COP(=O)([O-])OCC[N+](C)(C)C)OCC |
| InChIKey | IMUXPCJVQLNCHP-UHFFFAOYSA-N |
Product Overview
rac-3-Octadecanureido-2-ethoxypropyl phosphocholine (CAS 112989-09-0), with molecular formula C29H62N3O6P and molecular weight 579.44 g/mol. IUPAC: [2-ethoxy-3-(octadecylcarbamoylamino)propyl] 2-(trimethylazaniumyl)ethyl phosphate.
Chemical Property Profile of rac-3-Octadecanureido-2-ethoxypropyl phosphocholine
Property Insights of rac-3-Octadecanureido-2-ethoxypropyl phosphocholine
The XLogP value of 7.2 indicates that rac-3-Octadecanureido-2-ethoxypropyl phosphocholine 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 rac-3-Octadecanureido-2-ethoxypropyl phosphocholine. Following Lipinski's Rule of Five, rac-3-Octadecanureido-2-ethoxypropyl phosphocholine has 2 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 rac-3-Octadecanureido-2-ethoxypropyl phosphocholine?
The CAS number of rac-3-Octadecanureido-2-ethoxypropyl phosphocholine is 112989-09-0.
What is the molecular formula of rac-3-Octadecanureido-2-ethoxypropyl phosphocholine?
The molecular formula of rac-3-Octadecanureido-2-ethoxypropyl phosphocholine is C29H62N3O6P.
What is the molecular weight of rac-3-Octadecanureido-2-ethoxypropyl phosphocholine?
The molecular weight of rac-3-Octadecanureido-2-ethoxypropyl phosphocholine is 579.44 g/mol.
Where can I buy rac-3-Octadecanureido-2-ethoxypropyl phosphocholine?
You can request a quote for rac-3-Octadecanureido-2-ethoxypropyl phosphocholine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for rac-3-Octadecanureido-2-ethoxypropyl phosphocholine?
Yes, KEHONG BIO provides custom synthesis services for rac-3-Octadecanureido-2-ethoxypropyl phosphocholine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.