N-12-(anthryl)-11-dodecenoylsphingosine-1-phosphorylcholine
TL;DR: N-12-(anthryl)-11-dodecenoylsphingosine-1-phosphorylcholine (CAS 77840-25-6) is a chemical compound with molecular formula C49H77N2O6P and molecular weight 820.55 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(E,2S,3R)-2-[[(E)-12-anthracen-9-yldodec-11-enoyl]amino]-3-hydroxyoctadec-4-enyl] 2-(trimethylazaniumyl)ethyl phosphate
Also Known As: 12-Adspc, n-12-11-dodecenoylsphingosine-1-phosphorylcholine, N-12-(Anthryl)-11-dodecenoylsphingosine-1-phosphorylcholine, [(E,2S,3R)-2-[[(E)-12-anthracen-9-yldodec-11-enoyl]amino]-3-hydroxyoctadec-4-enyl] 2-(trimethylazaniumyl)ethyl phosphate, [(E,2S,3R)-2-[[(E)-12-anthracen-9-yldodec-11-enoyl]amino]-3-hydroxyoctadec-4-enyl] 2-trimethylazaniumylethyl phosphate
| Molecular Formula | C49H77N2O6P |
|---|---|
| Molecular Weight | 820.55 g/mol |
| LogP | 11.8279 |
| Topological Polar Surface Area | 107.92 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 33 |
| Exact Mass | 820.55194 |
| Heavy Atoms | 58 |
| Complexity | 1630.6934 |
Chemical Identifiers
| CAS Number | 77840-25-6 |
|---|---|
| SMILES | CCCCCCCCCCCCC/C=C/[C@H]([C@H](COP(=O)([O-])OCC[N+](C)(C)C)NC(=O)CCCCCCCCC/C=C/C1=C2C=CC=CC2=CC3=CC=CC=C31)O |
Product Overview
N-12-(anthryl)-11-dodecenoylsphingosine-1-phosphorylcholine (CAS 77840-25-6), with molecular formula C49H77N2O6P and molecular weight 820.55 g/mol. IUPAC: [(E,2S,3R)-2-[[(E)-12-anthracen-9-yldodec-11-enoyl]amino]-3-hydroxyoctadec-4-enyl] 2-(trimethylazaniumyl)ethyl phosphate.
Chemical Property Profile of N-12-(anthryl)-11-dodecenoylsphingosine-1-phosphorylcholine
Property Insights of N-12-(anthryl)-11-dodecenoylsphingosine-1-phosphorylcholine
The XLogP value of 11.8279 indicates that N-12-(anthryl)-11-dodecenoylsphingosine-1-phosphorylcholine 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-12-(anthryl)-11-dodecenoylsphingosine-1-phosphorylcholine. Following Lipinski's Rule of Five, N-12-(anthryl)-11-dodecenoylsphingosine-1-phosphorylcholine 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-12-(anthryl)-11-dodecenoylsphingosine-1-phosphorylcholine?
The CAS number of N-12-(anthryl)-11-dodecenoylsphingosine-1-phosphorylcholine is 77840-25-6.
What is the molecular formula of N-12-(anthryl)-11-dodecenoylsphingosine-1-phosphorylcholine?
The molecular formula of N-12-(anthryl)-11-dodecenoylsphingosine-1-phosphorylcholine is C49H77N2O6P.
What is the molecular weight of N-12-(anthryl)-11-dodecenoylsphingosine-1-phosphorylcholine?
The molecular weight of N-12-(anthryl)-11-dodecenoylsphingosine-1-phosphorylcholine is 820.55 g/mol.
Where can I buy N-12-(anthryl)-11-dodecenoylsphingosine-1-phosphorylcholine?
You can request a quote for N-12-(anthryl)-11-dodecenoylsphingosine-1-phosphorylcholine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-12-(anthryl)-11-dodecenoylsphingosine-1-phosphorylcholine?
Yes, KEHONG BIO provides custom synthesis services for N-12-(anthryl)-11-dodecenoylsphingosine-1-phosphorylcholine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.