2-Octadecanamidoethyl phosphocholine
TL;DR: 2-Octadecanamidoethyl phosphocholine (CAS 82755-92-8) is a chemical compound with molecular formula C25H53N2O5P and molecular weight 492.37 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(octadecanoylamino)ethyl 2-(trimethylazaniumyl)ethyl phosphate
Also Known As: Lipid analog, 2-Octadecanamidoethyl phosphocholine, CP 87, 3,5-Dioxa-8-aza-4-phosphahexacosan-1-aminium, 4-hydroxy-N,N,N-trimethyl-9-oxo-, inner salt, 4-oxide, 2-(octadecanoylamino)ethyl 2-(trimethylazaniumyl)ethyl phosphate
| Molecular Formula | C25H53N2O5P |
|---|---|
| Molecular Weight | 492.37 g/mol |
| LogP | 6.7 |
| Topological Polar Surface Area | 87.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 24 |
| Exact Mass | 492.3692 |
| Heavy Atoms | 33 |
| Complexity | 503.0 |
Chemical Identifiers
| CAS Number | 82755-92-8 |
|---|---|
| SMILES | CCCCCCCCCCCCCCCCCC(=O)NCCOP(=O)([O-])OCC[N+](C)(C)C |
| InChIKey | YUPOCVFDWNKTCJ-UHFFFAOYSA-N |
Product Overview
2-Octadecanamidoethyl phosphocholine (CAS 82755-92-8), with molecular formula C25H53N2O5P and molecular weight 492.37 g/mol. IUPAC: 2-(octadecanoylamino)ethyl 2-(trimethylazaniumyl)ethyl phosphate.
Chemical Property Profile of 2-Octadecanamidoethyl phosphocholine
Property Insights of 2-Octadecanamidoethyl phosphocholine
The XLogP value of 6.7 indicates that 2-Octadecanamidoethyl phosphocholine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 87.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Octadecanamidoethyl phosphocholine. Following Lipinski's Rule of Five, 2-Octadecanamidoethyl phosphocholine has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-Octadecanamidoethyl phosphocholine?
The CAS number of 2-Octadecanamidoethyl phosphocholine is 82755-92-8.
What is the molecular formula of 2-Octadecanamidoethyl phosphocholine?
The molecular formula of 2-Octadecanamidoethyl phosphocholine is C25H53N2O5P.
What is the molecular weight of 2-Octadecanamidoethyl phosphocholine?
The molecular weight of 2-Octadecanamidoethyl phosphocholine is 492.37 g/mol.
Where can I buy 2-Octadecanamidoethyl phosphocholine?
You can request a quote for 2-Octadecanamidoethyl phosphocholine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Octadecanamidoethyl phosphocholine?
Yes, KEHONG BIO provides custom synthesis services for 2-Octadecanamidoethyl phosphocholine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.