(2S,3R,4E)-2-aminoheptadec-4-ene-1,3-diol-1-phosphate
TL;DR: (2S,3R,4E)-2-aminoheptadec-4-ene-1,3-diol-1-phosphate (CAS 474923-27-8) is a chemical compound with molecular formula C17H36NO5P and molecular weight 365.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(E,2S,3R)-2-amino-3-hydroxyheptadec-4-enyl] dihydrogen phosphate
Also Known As: Sphingosine-1-Phosphate (d17:1), C17 Sphingosine-1-phosphate, D-erythro-sphingosine-1-phosphate (C17 base), Sphingosine-1-P (C17 base), heptadecasphing-4-enine-1-phosphate
| Molecular Formula | C17H36NO5P |
|---|---|
| Molecular Weight | 365.23 g/mol |
| LogP | 3.6511 |
| Topological Polar Surface Area | 113.01 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 16 |
| Exact Mass | 365.23312 |
| Heavy Atoms | 24 |
| Complexity | 358.89008 |
Chemical Identifiers
| CAS Number | 474923-27-8 |
|---|---|
| SMILES | CCCCCCCCCCCC/C=C/[C@H]([C@H](COP(=O)(O)O)N)O |
Product Overview
(2S,3R,4E)-2-aminoheptadec-4-ene-1,3-diol-1-phosphate (CAS 474923-27-8), with molecular formula C17H36NO5P and molecular weight 365.23 g/mol. IUPAC: [(E,2S,3R)-2-amino-3-hydroxyheptadec-4-enyl] dihydrogen phosphate.
Chemical Property Profile of (2S,3R,4E)-2-aminoheptadec-4-ene-1,3-diol-1-phosphate
Property Insights of (2S,3R,4E)-2-aminoheptadec-4-ene-1,3-diol-1-phosphate
The XLogP value of 3.6511 indicates that (2S,3R,4E)-2-aminoheptadec-4-ene-1,3-diol-1-phosphate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 113.01 Ų falls within the moderate polarity range, balancing permeability and solubility for (2S,3R,4E)-2-aminoheptadec-4-ene-1,3-diol-1-phosphate. Following Lipinski's Rule of Five, (2S,3R,4E)-2-aminoheptadec-4-ene-1,3-diol-1-phosphate 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 (2S,3R,4E)-2-aminoheptadec-4-ene-1,3-diol-1-phosphate?
The CAS number of (2S,3R,4E)-2-aminoheptadec-4-ene-1,3-diol-1-phosphate is 474923-27-8.
What is the molecular formula of (2S,3R,4E)-2-aminoheptadec-4-ene-1,3-diol-1-phosphate?
The molecular formula of (2S,3R,4E)-2-aminoheptadec-4-ene-1,3-diol-1-phosphate is C17H36NO5P.
What is the molecular weight of (2S,3R,4E)-2-aminoheptadec-4-ene-1,3-diol-1-phosphate?
The molecular weight of (2S,3R,4E)-2-aminoheptadec-4-ene-1,3-diol-1-phosphate is 365.23 g/mol.
Where can I buy (2S,3R,4E)-2-aminoheptadec-4-ene-1,3-diol-1-phosphate?
You can request a quote for (2S,3R,4E)-2-aminoheptadec-4-ene-1,3-diol-1-phosphate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2S,3R,4E)-2-aminoheptadec-4-ene-1,3-diol-1-phosphate?
Yes, KEHONG BIO provides custom synthesis services for (2S,3R,4E)-2-aminoheptadec-4-ene-1,3-diol-1-phosphate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.