N-(12-((1-Pyrenesulfonyl)amido)dodecanoyl)sphingosylphosphorylcholine
TL;DR: N-(12-((1-Pyrenesulfonyl)amido)dodecanoyl)sphingosylphosphorylcholine (CAS 118578-43-1) is a chemical compound with molecular formula C50H78N3O8PS and molecular weight 911.5247 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[(E,2S,3R)-3-hydroxy-2-[12-(pyren-1-ylsulfonylamino)dodecanoylamino]heptadec-4-enyl] 2-(trimethylazaniumyl)ethyl phosphate
Also Known As: Psa12-spm, N-(12-((1-Pyrenesulfonyl)amido)dodecanoyl)sphingosylphosphorylcholine, [(E,2S,3R)-3-hydroxy-2-[12-(pyren-1-ylsulfonylamino)dodecanoylamino]heptadec-4-enyl] 2-(trimethylazaniumyl)ethyl phosphate, 3,5-Dioxa-8-aza-4-phosphaeicosan-1-aminium, 4-hydroxy-7-(1-hydroxy-2-pentadecenyl)-N,N,N-trimethyl-9-oxo-20-((1-pyrenylsulfonyl)amino)-, hydroxide, inner salt, 4-oxide, (R-(R*,S*-(E)))-
Technical Specifications
| Molecular Formula | C50H78N3O8PS |
| Molecular Weight | 911.5247 g/mol |
| XLogP | 12.4 |
| Topological Polar Surface Area (TPSA) | 162.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 35 |
| Exact Mass | 911.5247 Da |
| Heavy Atoms | 63 |
| Complexity | 1450.0 |
| SMILES | CCCCCCCCCCCC/C=C/[C@H]([C@H](COP(=O)([O-])OCC[N+](C)(C)C)NC(=O)CCCCCCCCCCCNS(=O)(=O)C1=C2C=CC3=CC=CC4=C3C2=C(C=C4)C=C1)O |
| InChIKey | COBJOSMZOADPGU-UHCPMHAVSA-N |
Chemical Property Profile of N-(12-((1-Pyrenesulfonyl)amido)dodecanoyl)sphingosylphosphorylcholine
Property Insights of N-(12-((1-Pyrenesulfonyl)amido)dodecanoyl)sphingosylphosphorylcholine
The XLogP value of 12.4 indicates that N-(12-((1-Pyrenesulfonyl)amido)dodecanoyl)sphingosylphosphorylcholine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 162.0 Ų indicates high polarity, suggesting N-(12-((1-Pyrenesulfonyl)amido)dodecanoyl)sphingosylphosphorylcholine may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, N-(12-((1-Pyrenesulfonyl)amido)dodecanoyl)sphingosylphosphorylcholine has 3 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of N-(12-((1-Pyrenesulfonyl)amido)dodecanoyl)sphingosylphosphorylcholine?
The CAS number of N-(12-((1-Pyrenesulfonyl)amido)dodecanoyl)sphingosylphosphorylcholine is 118578-43-1.
What is the molecular formula of N-(12-((1-Pyrenesulfonyl)amido)dodecanoyl)sphingosylphosphorylcholine?
The molecular formula of N-(12-((1-Pyrenesulfonyl)amido)dodecanoyl)sphingosylphosphorylcholine is C50H78N3O8PS.
What is the molecular weight of N-(12-((1-Pyrenesulfonyl)amido)dodecanoyl)sphingosylphosphorylcholine?
The molecular weight of N-(12-((1-Pyrenesulfonyl)amido)dodecanoyl)sphingosylphosphorylcholine is 911.5247 g/mol.
Where can I buy N-(12-((1-Pyrenesulfonyl)amido)dodecanoyl)sphingosylphosphorylcholine?
You can request a quote for N-(12-((1-Pyrenesulfonyl)amido)dodecanoyl)sphingosylphosphorylcholine directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for N-(12-((1-Pyrenesulfonyl)amido)dodecanoyl)sphingosylphosphorylcholine?
Yes, CoreyChem provides custom synthesis services for N-(12-((1-Pyrenesulfonyl)amido)dodecanoyl)sphingosylphosphorylcholine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.