N-Hexadecanoyl-D-sphingosine-1-phosphocholine
TL;DR: N-Hexadecanoyl-D-sphingosine-1-phosphocholine (CAS 6254-89-3) is a chemical compound with molecular formula C39H80N2O6P+ and molecular weight 703.58 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[(E)-2-(hexadecanoylamino)-3-hydroxyoctadec-4-enoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium
Also Known As: N-Hexadecanoyl-D-sphingosine-1-phosphocholine, N-Palmitoyl-D-sphingomyelin semisynthetic from bovine brain sphingomyelin, 2-[[(E)-2-(hexadecanoylamino)-3-hydroxyoctadec-4-enoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium
| Molecular Formula | C39H80N2O6P+ |
|---|---|
| Molecular Weight | 703.58 g/mol |
| LogP | 10.4105 |
| Topological Polar Surface Area | 105.09 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 36 |
| Exact Mass | 703.5754 |
| Heavy Atoms | 48 |
| Complexity | 803.83575 |
Chemical Identifiers
| CAS Number | 6254-89-3 |
|---|---|
| SMILES | CCCCCCCCCCCCCCCC(=O)NC(COP(=O)(O)OCC[N+](C)(C)C)C(/C=C/CCCCCCCCCCCCC)O |
Product Overview
N-Hexadecanoyl-D-sphingosine-1-phosphocholine (CAS 6254-89-3), with molecular formula C39H80N2O6P+ and molecular weight 703.58 g/mol. IUPAC: 2-[[(E)-2-(hexadecanoylamino)-3-hydroxyoctadec-4-enoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium.
Chemical Property Profile of N-Hexadecanoyl-D-sphingosine-1-phosphocholine
Property Insights of N-Hexadecanoyl-D-sphingosine-1-phosphocholine
The XLogP value of 10.4105 indicates that N-Hexadecanoyl-D-sphingosine-1-phosphocholine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 105.09 Ų falls within the moderate polarity range, balancing permeability and solubility for N-Hexadecanoyl-D-sphingosine-1-phosphocholine. Following Lipinski's Rule of Five, N-Hexadecanoyl-D-sphingosine-1-phosphocholine has 3 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 N-Hexadecanoyl-D-sphingosine-1-phosphocholine?
The CAS number of N-Hexadecanoyl-D-sphingosine-1-phosphocholine is 6254-89-3.
What is the molecular formula of N-Hexadecanoyl-D-sphingosine-1-phosphocholine?
The molecular formula of N-Hexadecanoyl-D-sphingosine-1-phosphocholine is C39H80N2O6P+.
What is the molecular weight of N-Hexadecanoyl-D-sphingosine-1-phosphocholine?
The molecular weight of N-Hexadecanoyl-D-sphingosine-1-phosphocholine is 703.58 g/mol.
Where can I buy N-Hexadecanoyl-D-sphingosine-1-phosphocholine?
You can request a quote for N-Hexadecanoyl-D-sphingosine-1-phosphocholine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-Hexadecanoyl-D-sphingosine-1-phosphocholine?
Yes, KEHONG BIO provides custom synthesis services for N-Hexadecanoyl-D-sphingosine-1-phosphocholine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.