3,5,12,15-Tetraoxa-9-thia-4-phosphaheptacosan-1-aminium, 7-(acetylamino)-4-hydroxy-N,N,N-trimethyl-, inner salt, 4-oxide
TL;DR: 3,5,12,15-Tetraoxa-9-thia-4-phosphaheptacosan-1-aminium, 7-(acetylamino)-4-hydroxy-N,N,N-trimethyl-, inner salt, 4-oxide (CAS 131574-86-2) is a chemical compound with molecular formula C26H55N2O7PS and molecular weight 570.35 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-acetamido-3-[2-(2-dodecoxyethoxy)ethylsulfanyl]propyl] 2-(trimethylazaniumyl)ethyl phosphate
Also Known As: 3,5,12,15-Tetraoxa-9-thia-4-phosphaheptacosan-1-aminium, 7-(acetylamino)-4-hydroxy-N,N,N-trimethyl-, inner salt, 4-oxide, [2-acetamido-3-[2-(2-dodecoxyethoxy)ethylsulfanyl]propyl] 2-(trimethylazaniumyl)ethyl phosphate, 3-({2-[2-(Dodecyloxy)ethoxy]ethyl}sulfanyl)-2-[(1-hydroxyethylidene)amino]propyl 2-(trimethylazaniumyl)ethyl phosphate
| Molecular Formula | C26H55N2O7PS |
|---|---|
| Molecular Weight | 570.35 g/mol |
| LogP | 4.3 |
| Topological Polar Surface Area | 131.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 27 |
| Exact Mass | 570.34674 |
| Heavy Atoms | 37 |
| Complexity | 585.0 |
Chemical Identifiers
| CAS Number | 131574-86-2 |
|---|---|
| SMILES | CCCCCCCCCCCCOCCOCCSCC(COP(=O)([O-])OCC[N+](C)(C)C)NC(=O)C |
| InChIKey | JCKSDYHMDLYFIB-UHFFFAOYSA-N |
Product Overview
3,5,12,15-Tetraoxa-9-thia-4-phosphaheptacosan-1-aminium, 7-(acetylamino)-4-hydroxy-N,N,N-trimethyl-, inner salt, 4-oxide (CAS 131574-86-2), with molecular formula C26H55N2O7PS and molecular weight 570.35 g/mol. IUPAC: [2-acetamido-3-[2-(2-dodecoxyethoxy)ethylsulfanyl]propyl] 2-(trimethylazaniumyl)ethyl phosphate.
Chemical Property Profile of 3,5,12,15-Tetraoxa-9-thia-4-phosphaheptacosan-1-aminium, 7-(acetylamino)-4-hydroxy-N,N,N-trimethyl-, inner salt, 4-oxide
Property Insights of 3,5,12,15-Tetraoxa-9-thia-4-phosphaheptacosan-1-aminium, 7-(acetylamino)-4-hydroxy-N,N,N-trimethyl-, inner salt, 4-oxide
The XLogP value of 4.3 indicates that 3,5,12,15-Tetraoxa-9-thia-4-phosphaheptacosan-1-aminium, 7-(acetylamino)-4-hydroxy-N,N,N-trimethyl-, inner salt, 4-oxide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 131.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,5,12,15-Tetraoxa-9-thia-4-phosphaheptacosan-1-aminium, 7-(acetylamino)-4-hydroxy-N,N,N-trimethyl-, inner salt, 4-oxide. Following Lipinski's Rule of Five, 3,5,12,15-Tetraoxa-9-thia-4-phosphaheptacosan-1-aminium, 7-(acetylamino)-4-hydroxy-N,N,N-trimethyl-, inner salt, 4-oxide has 1 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 3,5,12,15-Tetraoxa-9-thia-4-phosphaheptacosan-1-aminium, 7-(acetylamino)-4-hydroxy-N,N,N-trimethyl-, inner salt, 4-oxide?
The CAS number of 3,5,12,15-Tetraoxa-9-thia-4-phosphaheptacosan-1-aminium, 7-(acetylamino)-4-hydroxy-N,N,N-trimethyl-, inner salt, 4-oxide is 131574-86-2.
What is the molecular formula of 3,5,12,15-Tetraoxa-9-thia-4-phosphaheptacosan-1-aminium, 7-(acetylamino)-4-hydroxy-N,N,N-trimethyl-, inner salt, 4-oxide?
The molecular formula of 3,5,12,15-Tetraoxa-9-thia-4-phosphaheptacosan-1-aminium, 7-(acetylamino)-4-hydroxy-N,N,N-trimethyl-, inner salt, 4-oxide is C26H55N2O7PS.
What is the molecular weight of 3,5,12,15-Tetraoxa-9-thia-4-phosphaheptacosan-1-aminium, 7-(acetylamino)-4-hydroxy-N,N,N-trimethyl-, inner salt, 4-oxide?
The molecular weight of 3,5,12,15-Tetraoxa-9-thia-4-phosphaheptacosan-1-aminium, 7-(acetylamino)-4-hydroxy-N,N,N-trimethyl-, inner salt, 4-oxide is 570.35 g/mol.
Where can I buy 3,5,12,15-Tetraoxa-9-thia-4-phosphaheptacosan-1-aminium, 7-(acetylamino)-4-hydroxy-N,N,N-trimethyl-, inner salt, 4-oxide?
You can request a quote for 3,5,12,15-Tetraoxa-9-thia-4-phosphaheptacosan-1-aminium, 7-(acetylamino)-4-hydroxy-N,N,N-trimethyl-, inner salt, 4-oxide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,5,12,15-Tetraoxa-9-thia-4-phosphaheptacosan-1-aminium, 7-(acetylamino)-4-hydroxy-N,N,N-trimethyl-, inner salt, 4-oxide?
Yes, KEHONG BIO provides custom synthesis services for 3,5,12,15-Tetraoxa-9-thia-4-phosphaheptacosan-1-aminium, 7-(acetylamino)-4-hydroxy-N,N,N-trimethyl-, inner salt, 4-oxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.