N-(11-(1-Pyrene)sulfonylaminoundecanoyl)sphingomyelin
TL;DR: N-(11-(1-Pyrene)sulfonylaminoundecanoyl)sphingomyelin (CAS 133733-41-2) is a chemical compound with molecular formula C50H78N3O8PS and molecular weight 911.52 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(E,2S,3R)-3-hydroxy-2-[11-(pyren-1-ylsulfonylamino)undecanoylamino]octadec-4-enyl] 2-(trimethylazaniumyl)ethyl phosphate
Also Known As: Psa11-spm, 2,4-Dimethoxyphenylboronic acid, N-(11-(1-Pyrene)sulfonylaminoundecanoyl)sphingomyelin, [(E,2S,3R)-3-hydroxy-2-[11-(pyren-1-ylsulfonylamino)undecanoylamino]octadec-4-enyl] 2-(trimethylazaniumyl)ethyl phosphate, 4-Hydroxy-7-(1-hydroxy-2-hexadecenyl)-N,N,N-trimethyl-9-oxo-19-((1-pyrenylsulfonyl)amino)-3,5-dioxa-8-aza-4-phosphanonadecan-1-aminium hydroxide, inner salt, 4-oxide, (R-(R*,S*-(E)))-
| Molecular Formula | C50H78N3O8PS |
|---|---|
| Molecular Weight | 911.52 g/mol |
| LogP | 10.684 |
| Topological Polar Surface Area | 154.09 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 35 |
| Exact Mass | 911.5247 |
| Heavy Atoms | 63 |
| Complexity | 2105.7969 |
Chemical Identifiers
| CAS Number | 133733-41-2 |
|---|---|
| SMILES | CCCCCCCCCCCCC/C=C/[C@H]([C@H](COP(=O)([O-])OCC[N+](C)(C)C)NC(=O)CCCCCCCCCCNS(=O)(=O)C1=C2C=CC3=CC=CC4=C3C2=C(C=C4)C=C1)O |
Product Overview
N-(11-(1-Pyrene)sulfonylaminoundecanoyl)sphingomyelin (CAS 133733-41-2), with molecular formula C50H78N3O8PS and molecular weight 911.52 g/mol. IUPAC: [(E,2S,3R)-3-hydroxy-2-[11-(pyren-1-ylsulfonylamino)undecanoylamino]octadec-4-enyl] 2-(trimethylazaniumyl)ethyl phosphate.
Chemical Property Profile of N-(11-(1-Pyrene)sulfonylaminoundecanoyl)sphingomyelin
Property Insights of N-(11-(1-Pyrene)sulfonylaminoundecanoyl)sphingomyelin
The XLogP value of 10.684 indicates that N-(11-(1-Pyrene)sulfonylaminoundecanoyl)sphingomyelin is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 154.09 Ų indicates high polarity, suggesting N-(11-(1-Pyrene)sulfonylaminoundecanoyl)sphingomyelin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, N-(11-(1-Pyrene)sulfonylaminoundecanoyl)sphingomyelin has 3 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of N-(11-(1-Pyrene)sulfonylaminoundecanoyl)sphingomyelin?
The CAS number of N-(11-(1-Pyrene)sulfonylaminoundecanoyl)sphingomyelin is 133733-41-2.
What is the molecular formula of N-(11-(1-Pyrene)sulfonylaminoundecanoyl)sphingomyelin?
The molecular formula of N-(11-(1-Pyrene)sulfonylaminoundecanoyl)sphingomyelin is C50H78N3O8PS.
What is the molecular weight of N-(11-(1-Pyrene)sulfonylaminoundecanoyl)sphingomyelin?
The molecular weight of N-(11-(1-Pyrene)sulfonylaminoundecanoyl)sphingomyelin is 911.52 g/mol.
Where can I buy N-(11-(1-Pyrene)sulfonylaminoundecanoyl)sphingomyelin?
You can request a quote for N-(11-(1-Pyrene)sulfonylaminoundecanoyl)sphingomyelin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(11-(1-Pyrene)sulfonylaminoundecanoyl)sphingomyelin?
Yes, KEHONG BIO provides custom synthesis services for N-(11-(1-Pyrene)sulfonylaminoundecanoyl)sphingomyelin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.