rac-3-Eicosanamido-2-ethoxypropyl phosphocholine
TL;DR: rac-3-Eicosanamido-2-ethoxypropyl phosphocholine (CAS 149576-20-5) is a chemical compound with molecular formula C30H63N2O6P and molecular weight 578.44 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-ethoxy-3-(icosanoylamino)propyl] 2-(trimethylazaniumyl)ethyl phosphate
Also Known As: Phospholipid analog, rac-3-Eicosanamido-2-ethoxypropyl phosphocholine, rac-3-eicosanamido-2-ethoxypropylphosphocholine, [2-ethoxy-3-(icosanoylamino)propyl] 2-(trimethylazaniumyl)ethyl phosphate, 3,5-Dioxa-9-aza-4-phosphanonacosan-1-aminium, 7-ethoxy-4-hydroxy-N,N,N-trimethyl-10-oxo-, inner salt, 4-oxide
| Molecular Formula | C30H63N2O6P |
|---|---|
| Molecular Weight | 578.44 g/mol |
| LogP | 8.0 |
| Topological Polar Surface Area | 96.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 29 |
| Exact Mass | 578.4424 |
| Heavy Atoms | 39 |
| Complexity | 606.0 |
Chemical Identifiers
| CAS Number | 149576-20-5 |
|---|---|
| SMILES | CCCCCCCCCCCCCCCCCCCC(=O)NCC(COP(=O)([O-])OCC[N+](C)(C)C)OCC |
| InChIKey | HZHHKNWHKFCVMH-UHFFFAOYSA-N |
Product Overview
rac-3-Eicosanamido-2-ethoxypropyl phosphocholine (CAS 149576-20-5), with molecular formula C30H63N2O6P and molecular weight 578.44 g/mol. IUPAC: [2-ethoxy-3-(icosanoylamino)propyl] 2-(trimethylazaniumyl)ethyl phosphate.
Chemical Property Profile of rac-3-Eicosanamido-2-ethoxypropyl phosphocholine
Property Insights of rac-3-Eicosanamido-2-ethoxypropyl phosphocholine
The XLogP value of 8.0 indicates that rac-3-Eicosanamido-2-ethoxypropyl phosphocholine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 96.9 Ų falls within the moderate polarity range, balancing permeability and solubility for rac-3-Eicosanamido-2-ethoxypropyl phosphocholine. Following Lipinski's Rule of Five, rac-3-Eicosanamido-2-ethoxypropyl phosphocholine 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 rac-3-Eicosanamido-2-ethoxypropyl phosphocholine?
The CAS number of rac-3-Eicosanamido-2-ethoxypropyl phosphocholine is 149576-20-5.
What is the molecular formula of rac-3-Eicosanamido-2-ethoxypropyl phosphocholine?
The molecular formula of rac-3-Eicosanamido-2-ethoxypropyl phosphocholine is C30H63N2O6P.
What is the molecular weight of rac-3-Eicosanamido-2-ethoxypropyl phosphocholine?
The molecular weight of rac-3-Eicosanamido-2-ethoxypropyl phosphocholine is 578.44 g/mol.
Where can I buy rac-3-Eicosanamido-2-ethoxypropyl phosphocholine?
You can request a quote for rac-3-Eicosanamido-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-Eicosanamido-2-ethoxypropyl phosphocholine?
Yes, KEHONG BIO provides custom synthesis services for rac-3-Eicosanamido-2-ethoxypropyl phosphocholine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.