1-Stearoyl-2-(9,10-epoxystearoyl)phosphatidylcholine
TL;DR: 1-Stearoyl-2-(9,10-epoxystearoyl)phosphatidylcholine (CAS 84720-63-8) is a chemical compound with molecular formula C44H86NO9P and molecular weight 803.60 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(2R)-3-octadecanoyloxy-2-[8-[(2R,3S)-3-octyloxiran-2-yl]octanoyloxy]propyl] 2-(trimethylazaniumyl)ethyl phosphate
Also Known As: Ses-ppc, 1-Stearoyl-2-stearoylphosphatidylcholine, KST-1A8542, 1-Stearoyl-2-(9,10-epoxystearoyl)phosphatidylcholine, 1-Stearoyl-2-(cis-9,10-epoxystearoyl)phosphatidylcholine
| Molecular Formula | C44H86NO9P |
|---|---|
| Molecular Weight | 803.60 g/mol |
| LogP | 13.6 |
| Topological Polar Surface Area | 124.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 43 |
| Exact Mass | 803.604 |
| Heavy Atoms | 55 |
| Complexity | 967.0 |
Chemical Identifiers
| CAS Number | 84720-63-8 |
|---|---|
| SMILES | CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCC[C@@H]1[C@@H](O1)CCCCCCCC |
| InChIKey | VUBYHMWLLMZONC-BMBFPDSCSA-N |
Product Overview
1-Stearoyl-2-(9,10-epoxystearoyl)phosphatidylcholine (CAS 84720-63-8), with molecular formula C44H86NO9P and molecular weight 803.60 g/mol. IUPAC: [(2R)-3-octadecanoyloxy-2-[8-[(2R,3S)-3-octyloxiran-2-yl]octanoyloxy]propyl] 2-(trimethylazaniumyl)ethyl phosphate.
Chemical Property Profile of 1-Stearoyl-2-(9,10-epoxystearoyl)phosphatidylcholine
Property Insights of 1-Stearoyl-2-(9,10-epoxystearoyl)phosphatidylcholine
The XLogP value of 13.6 indicates that 1-Stearoyl-2-(9,10-epoxystearoyl)phosphatidylcholine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 124.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Stearoyl-2-(9,10-epoxystearoyl)phosphatidylcholine. Following Lipinski's Rule of Five, 1-Stearoyl-2-(9,10-epoxystearoyl)phosphatidylcholine has 0 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1-Stearoyl-2-(9,10-epoxystearoyl)phosphatidylcholine?
The CAS number of 1-Stearoyl-2-(9,10-epoxystearoyl)phosphatidylcholine is 84720-63-8.
What is the molecular formula of 1-Stearoyl-2-(9,10-epoxystearoyl)phosphatidylcholine?
The molecular formula of 1-Stearoyl-2-(9,10-epoxystearoyl)phosphatidylcholine is C44H86NO9P.
What is the molecular weight of 1-Stearoyl-2-(9,10-epoxystearoyl)phosphatidylcholine?
The molecular weight of 1-Stearoyl-2-(9,10-epoxystearoyl)phosphatidylcholine is 803.60 g/mol.
Where can I buy 1-Stearoyl-2-(9,10-epoxystearoyl)phosphatidylcholine?
You can request a quote for 1-Stearoyl-2-(9,10-epoxystearoyl)phosphatidylcholine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Stearoyl-2-(9,10-epoxystearoyl)phosphatidylcholine?
Yes, KEHONG BIO provides custom synthesis services for 1-Stearoyl-2-(9,10-epoxystearoyl)phosphatidylcholine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.