PSPEA
TL;DR: PSPEA (CAS 74555-72-9) is a chemical compound with molecular formula C53H82NO10PS and molecular weight 955.54 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(2R)-2-hexadecanoyloxy-3-[hydroxy-[2-(pyren-2-ylsulfonylamino)ethoxy]phosphoryl]oxypropyl] hexadecanoate
Also Known As: PSPEA, Pyrenesulfonylphosphatidylethanolamine, Hexadecanoic acid, 1-(((hydroxy(2-((2-pyrenylsulfonyl)amino)ethoxy)phosphinyl)oxy)methyl)-1,2-ethanediyl ester, (R)-, Hexadecanoic acid,1-[[[hydroxy[2-[(2-pyrenylsulfonyl)amino]ethoxy]phosphinyl]oxy]methyl]-1,2-ethanediylester, (R)- (9CI), (2R)-2-(Hexadecanoyloxy)-3-({hydroxy[2-(pyrene-2-sulfonamido)ethoxy]phosphoryl}oxy)propyl hexadecanoate
| Molecular Formula | C53H82NO10PS |
|---|---|
| Molecular Weight | 955.54 g/mol |
| LogP | 17.3 |
| Topological Polar Surface Area | 163.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 42 |
| Exact Mass | 955.53973 |
| Heavy Atoms | 66 |
| Complexity | 1430.0 |
Chemical Identifiers
| CAS Number | 74555-72-9 |
|---|---|
| SMILES | CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCCNS(=O)(=O)C1=CC2=C3C(=C1)C=CC4=C3C(=CC=C4)C=C2)OC(=O)CCCCCCCCCCCCCCC |
| InChIKey | UJLCBUUYFXOGBG-QSCHNALKSA-N |
Product Overview
PSPEA (CAS 74555-72-9), with molecular formula C53H82NO10PS and molecular weight 955.54 g/mol. IUPAC: [(2R)-2-hexadecanoyloxy-3-[hydroxy-[2-(pyren-2-ylsulfonylamino)ethoxy]phosphoryl]oxypropyl] hexadecanoate.
Chemical Property Profile of PSPEA
Property Insights of PSPEA
The XLogP value of 17.3 indicates that PSPEA is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 163.0 Ų indicates high polarity, suggesting PSPEA may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, PSPEA has 2 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of PSPEA?
The CAS number of PSPEA is 74555-72-9.
What is the molecular formula of PSPEA?
The molecular formula of PSPEA is C53H82NO10PS.
What is the molecular weight of PSPEA?
The molecular weight of PSPEA is 955.54 g/mol.
Where can I buy PSPEA?
You can request a quote for PSPEA directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for PSPEA?
Yes, KEHONG BIO provides custom synthesis services for PSPEA and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.