Phytosphingosine
TL;DR: Phytosphingosine (CAS 554-62-1) is a chemical compound with molecular formula C18H39NO3 and molecular weight 317.29 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S,3S,4R)-2-aminooctadecane-1,3,4-triol
Also Known As: phytosphingosine, (2S,3S,4R)-2-aminooctadecane-1,3,4-triol, 4-D-Hydroxysphinganine, D-Ribo-phytosphingosine, C18-Phytosphingosine
| Molecular Formula | C18H39NO3 |
|---|---|
| Molecular Weight | 317.29 g/mol |
| LogP | 4.6 |
| Topological Polar Surface Area | 86.7 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 16 |
| Exact Mass | 317.293 |
| Heavy Atoms | 22 |
| Complexity | 226.0 |
| Melting Point | 102 - 103 °C |
Chemical Identifiers
| CAS Number | 554-62-1 |
|---|---|
| SMILES | CCCCCCCCCCCCCC[C@H]([C@H]([C@H](CO)N)O)O |
| InChIKey | AERBNCYCJBRYDG-KSZLIROESA-N |
Patent-Derived Application Labels
Derived from 14 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Phytosphingosine (CAS 554-62-1), with molecular formula C18H39NO3 and molecular weight 317.29 g/mol. IUPAC: (2S,3S,4R)-2-aminooctadecane-1,3,4-triol.
Chemical Property Profile of Phytosphingosine
Property Insights of Phytosphingosine
The XLogP value of 4.6 indicates that Phytosphingosine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 86.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Phytosphingosine. Following Lipinski's Rule of Five, Phytosphingosine has 4 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Phytosphingosine?
The CAS number of Phytosphingosine is 554-62-1.
What is the molecular formula of Phytosphingosine?
The molecular formula of Phytosphingosine is C18H39NO3.
What is the molecular weight of Phytosphingosine?
The molecular weight of Phytosphingosine is 317.29 g/mol.
Where can I buy Phytosphingosine?
You can request a quote for Phytosphingosine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phytosphingosine?
Yes, KEHONG BIO provides custom synthesis services for Phytosphingosine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.