rac-3-Octadecanamido-2-methoxypropyl phosphocholine
TL;DR: rac-3-Octadecanamido-2-methoxypropyl phosphocholine (CAS 88876-07-7) is a chemical compound with molecular formula C27H57N2O6P and molecular weight 536.40 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-methoxy-3-(octadecanoylamino)propyl] 2-(trimethylazaniumyl)ethyl phosphate
Also Known As: Amido-phosphoether lipid, rac-3-Octadecanamido-2-methoxypropyl phosphocholine, rac-3-Octadecanamido-2-Methoxypropan-1-ol Phosphocholine, [2-methoxy-3-(octadecanoylamino)propyl] 2-(trimethylazaniumyl)ethyl phosphate, 3,5-Dioxa-9-aza-4-phosphaheptacosan-1-aminium,4-hydroxy-7-methoxy-N,N,N-trimethyl-10-oxo-, inner salt, 4-oxide
| Molecular Formula | C27H57N2O6P |
|---|---|
| Molecular Weight | 536.40 g/mol |
| LogP | 6.6 |
| Topological Polar Surface Area | 96.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 26 |
| Exact Mass | 536.39545 |
| Heavy Atoms | 36 |
| Complexity | 563.0 |
Chemical Identifiers
| CAS Number | 88876-07-7 |
|---|---|
| SMILES | CCCCCCCCCCCCCCCCCC(=O)NCC(COP(=O)([O-])OCC[N+](C)(C)C)OC |
| InChIKey | KTJPWDKOKGANNX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
rac-3-Octadecanamido-2-methoxypropyl phosphocholine (CAS 88876-07-7), with molecular formula C27H57N2O6P and molecular weight 536.40 g/mol. IUPAC: [2-methoxy-3-(octadecanoylamino)propyl] 2-(trimethylazaniumyl)ethyl phosphate.
Chemical Property Profile of rac-3-Octadecanamido-2-methoxypropyl phosphocholine
Property Insights of rac-3-Octadecanamido-2-methoxypropyl phosphocholine
The XLogP value of 6.6 indicates that rac-3-Octadecanamido-2-methoxypropyl 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-Octadecanamido-2-methoxypropyl phosphocholine. Following Lipinski's Rule of Five, rac-3-Octadecanamido-2-methoxypropyl 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-Octadecanamido-2-methoxypropyl phosphocholine?
The CAS number of rac-3-Octadecanamido-2-methoxypropyl phosphocholine is 88876-07-7.
What is the molecular formula of rac-3-Octadecanamido-2-methoxypropyl phosphocholine?
The molecular formula of rac-3-Octadecanamido-2-methoxypropyl phosphocholine is C27H57N2O6P.
What is the molecular weight of rac-3-Octadecanamido-2-methoxypropyl phosphocholine?
The molecular weight of rac-3-Octadecanamido-2-methoxypropyl phosphocholine is 536.40 g/mol.
Where can I buy rac-3-Octadecanamido-2-methoxypropyl phosphocholine?
You can request a quote for rac-3-Octadecanamido-2-methoxypropyl 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-Octadecanamido-2-methoxypropyl phosphocholine?
Yes, KEHONG BIO provides custom synthesis services for rac-3-Octadecanamido-2-methoxypropyl phosphocholine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.