N-(3-(1-Pyrene)propenoyl)sphingomyelin
TL;DR: N-(3-(1-Pyrene)propenoyl)sphingomyelin (CAS 133733-42-3) is a chemical compound with molecular formula C42H59N2O6P and molecular weight 718.41 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(E,2S,3R)-3-hydroxy-2-[[(Z)-3-pyren-1-ylprop-2-enoyl]amino]octadec-4-enyl] 2-(trimethylazaniumyl)ethyl phosphate
Also Known As: P3,1-Spm, 2,4-Dimethoxyphenylboronic acid, N-(3-(1-Pyrene)propenoyl)sphingomyelin, [(E,2S,3R)-3-hydroxy-2-[[(Z)-3-pyren-1-ylprop-2-enoyl]amino]octadec-4-enyl] 2-(trimethylazaniumyl)ethyl phosphate, 4-Hydroxy-7-(1-hydroxy-2-hexadecenyl)-N,N,N-trimethyl-9-oxo-11-(1-pyrenyl)-3,5-dioxa-8-aza-4-phosphaundec-10-en-1-aminium hydroxide, inner salt, 4-oxide, (R-(R*,S*-(Z,E)))-
| Molecular Formula | C42H59N2O6P |
|---|---|
| Molecular Weight | 718.41 g/mol |
| LogP | 8.908 |
| Topological Polar Surface Area | 107.92 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 24 |
| Exact Mass | 718.4111 |
| Heavy Atoms | 51 |
| Complexity | 1747.6791 |
Chemical Identifiers
| CAS Number | 133733-42-3 |
|---|---|
| SMILES | CCCCCCCCCCCCC/C=C/[C@H]([C@H](COP(=O)([O-])OCC[N+](C)(C)C)NC(=O)/C=C\C1=C2C=CC3=CC=CC4=C3C2=C(C=C4)C=C1)O |
Product Overview
N-(3-(1-Pyrene)propenoyl)sphingomyelin (CAS 133733-42-3), with molecular formula C42H59N2O6P and molecular weight 718.41 g/mol. IUPAC: [(E,2S,3R)-3-hydroxy-2-[[(Z)-3-pyren-1-ylprop-2-enoyl]amino]octadec-4-enyl] 2-(trimethylazaniumyl)ethyl phosphate.
Chemical Property Profile of N-(3-(1-Pyrene)propenoyl)sphingomyelin
Property Insights of N-(3-(1-Pyrene)propenoyl)sphingomyelin
The XLogP value of 8.908 indicates that N-(3-(1-Pyrene)propenoyl)sphingomyelin is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 107.92 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(3-(1-Pyrene)propenoyl)sphingomyelin. Following Lipinski's Rule of Five, N-(3-(1-Pyrene)propenoyl)sphingomyelin has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of N-(3-(1-Pyrene)propenoyl)sphingomyelin?
The CAS number of N-(3-(1-Pyrene)propenoyl)sphingomyelin is 133733-42-3.
What is the molecular formula of N-(3-(1-Pyrene)propenoyl)sphingomyelin?
The molecular formula of N-(3-(1-Pyrene)propenoyl)sphingomyelin is C42H59N2O6P.
What is the molecular weight of N-(3-(1-Pyrene)propenoyl)sphingomyelin?
The molecular weight of N-(3-(1-Pyrene)propenoyl)sphingomyelin is 718.41 g/mol.
Where can I buy N-(3-(1-Pyrene)propenoyl)sphingomyelin?
You can request a quote for N-(3-(1-Pyrene)propenoyl)sphingomyelin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(3-(1-Pyrene)propenoyl)sphingomyelin?
Yes, KEHONG BIO provides custom synthesis services for N-(3-(1-Pyrene)propenoyl)sphingomyelin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.