rac-3-Octadecylsulfo-2-ethoxypropyl phosphocholine
TL;DR: rac-3-Octadecylsulfo-2-ethoxypropyl phosphocholine (CAS 131933-49-8) is a chemical compound with molecular formula C28H60NO7PS and molecular weight 585.38 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-ethoxy-3-octadecylsulfonylpropyl) 2-(trimethylazaniumyl)ethyl phosphate
Also Known As: Phospholipid analog, rac-3-Octadecylsulfo-2-ethoxypropyl phosphocholine, 3,5-Dioxa-9-thia-4-phosphaheptacosan-1-aminium, 7-ethoxy-4-hydroxy-N,N,N-trimethyl-, inner salt, 4,9,9-trioxide, (1)-, (2-ethoxy-3-octadecylsulfonylpropyl) 2-(trimethylazaniumyl)ethyl phosphate, 2-[(2-ethoxy-3-octadecylsulfonyl-propoxy)-hydroxy-phosphoryl]oxyethyl-trimethyl-ammonium
| Molecular Formula | C28H60NO7PS |
|---|---|
| Molecular Weight | 585.38 g/mol |
| LogP | 7.5 |
| Topological Polar Surface Area | 110.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 28 |
| Exact Mass | 585.3828 |
| Heavy Atoms | 38 |
| Complexity | 684.0 |
Chemical Identifiers
| CAS Number | 131933-49-8 |
|---|---|
| SMILES | CCCCCCCCCCCCCCCCCCS(=O)(=O)CC(COP(=O)([O-])OCC[N+](C)(C)C)OCC |
| InChIKey | SSDWNZLAZQZHGA-UHFFFAOYSA-N |
Product Overview
rac-3-Octadecylsulfo-2-ethoxypropyl phosphocholine (CAS 131933-49-8), with molecular formula C28H60NO7PS and molecular weight 585.38 g/mol. IUPAC: (2-ethoxy-3-octadecylsulfonylpropyl) 2-(trimethylazaniumyl)ethyl phosphate.
Chemical Property Profile of rac-3-Octadecylsulfo-2-ethoxypropyl phosphocholine
Property Insights of rac-3-Octadecylsulfo-2-ethoxypropyl phosphocholine
The XLogP value of 7.5 indicates that rac-3-Octadecylsulfo-2-ethoxypropyl phosphocholine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 110.0 Ų falls within the moderate polarity range, balancing permeability and solubility for rac-3-Octadecylsulfo-2-ethoxypropyl phosphocholine. Following Lipinski's Rule of Five, rac-3-Octadecylsulfo-2-ethoxypropyl phosphocholine has 0 hydrogen bond donor(s) and 7 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-Octadecylsulfo-2-ethoxypropyl phosphocholine?
The CAS number of rac-3-Octadecylsulfo-2-ethoxypropyl phosphocholine is 131933-49-8.
What is the molecular formula of rac-3-Octadecylsulfo-2-ethoxypropyl phosphocholine?
The molecular formula of rac-3-Octadecylsulfo-2-ethoxypropyl phosphocholine is C28H60NO7PS.
What is the molecular weight of rac-3-Octadecylsulfo-2-ethoxypropyl phosphocholine?
The molecular weight of rac-3-Octadecylsulfo-2-ethoxypropyl phosphocholine is 585.38 g/mol.
Where can I buy rac-3-Octadecylsulfo-2-ethoxypropyl phosphocholine?
You can request a quote for rac-3-Octadecylsulfo-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-Octadecylsulfo-2-ethoxypropyl phosphocholine?
Yes, KEHONG BIO provides custom synthesis services for rac-3-Octadecylsulfo-2-ethoxypropyl phosphocholine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.