2'-(Trimethylammonio)ethyl-4-(hexadecyloxy)-3-methoxybutane phosphonate
TL;DR: 2'-(Trimethylammonio)ethyl-4-(hexadecyloxy)-3-methoxybutane phosphonate (CAS 146388-20-7) is a chemical compound with molecular formula C26H56NO5P and molecular weight 493.39 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(3S)-4-hexadecoxy-3-methoxybutyl]-[2-(trimethylazaniumyl)ethoxy]phosphinate
Also Known As: 2-Taehm, 2'-(Trimethylammonio)ethyl-4-(hexadecyloxy)-3-methoxybutane phosphonate, [(3S)-4-hexadecoxy-3-methoxybutyl]-[2-(trimethylazaniumyl)ethoxy]phosphinate, 2-(trimethylazaniumyl)ethyl [(3S)-4-(hexadecyloxy)-3-methoxybutyl]phosphonate, [(3s)-4-hexadecoxy-3-methoxybutyl]-(2-trimethylazaniumylethoxy)phosphinate
| Molecular Formula | C26H56NO5P |
|---|---|
| Molecular Weight | 493.39 g/mol |
| LogP | 6.8 |
| Topological Polar Surface Area | 67.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 25 |
| Exact Mass | 493.38962 |
| Heavy Atoms | 33 |
| Complexity | 462.0 |
Chemical Identifiers
| CAS Number | 146388-20-7 |
|---|---|
| SMILES | CCCCCCCCCCCCCCCCOC[C@H](CCP(=O)([O-])OCC[N+](C)(C)C)OC |
| InChIKey | SRRWPKYVRSHESX-SANMLTNESA-N |
Product Overview
2'-(Trimethylammonio)ethyl-4-(hexadecyloxy)-3-methoxybutane phosphonate (CAS 146388-20-7), with molecular formula C26H56NO5P and molecular weight 493.39 g/mol. IUPAC: [(3S)-4-hexadecoxy-3-methoxybutyl]-[2-(trimethylazaniumyl)ethoxy]phosphinate.
Chemical Property Profile of 2'-(Trimethylammonio)ethyl-4-(hexadecyloxy)-3-methoxybutane phosphonate
Property Insights of 2'-(Trimethylammonio)ethyl-4-(hexadecyloxy)-3-methoxybutane phosphonate
The XLogP value of 6.8 indicates that 2'-(Trimethylammonio)ethyl-4-(hexadecyloxy)-3-methoxybutane phosphonate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 67.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 2'-(Trimethylammonio)ethyl-4-(hexadecyloxy)-3-methoxybutane phosphonate. Following Lipinski's Rule of Five, 2'-(Trimethylammonio)ethyl-4-(hexadecyloxy)-3-methoxybutane phosphonate has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2'-(Trimethylammonio)ethyl-4-(hexadecyloxy)-3-methoxybutane phosphonate?
The CAS number of 2'-(Trimethylammonio)ethyl-4-(hexadecyloxy)-3-methoxybutane phosphonate is 146388-20-7.
What is the molecular formula of 2'-(Trimethylammonio)ethyl-4-(hexadecyloxy)-3-methoxybutane phosphonate?
The molecular formula of 2'-(Trimethylammonio)ethyl-4-(hexadecyloxy)-3-methoxybutane phosphonate is C26H56NO5P.
What is the molecular weight of 2'-(Trimethylammonio)ethyl-4-(hexadecyloxy)-3-methoxybutane phosphonate?
The molecular weight of 2'-(Trimethylammonio)ethyl-4-(hexadecyloxy)-3-methoxybutane phosphonate is 493.39 g/mol.
Where can I buy 2'-(Trimethylammonio)ethyl-4-(hexadecyloxy)-3-methoxybutane phosphonate?
You can request a quote for 2'-(Trimethylammonio)ethyl-4-(hexadecyloxy)-3-methoxybutane phosphonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2'-(Trimethylammonio)ethyl-4-(hexadecyloxy)-3-methoxybutane phosphonate?
Yes, KEHONG BIO provides custom synthesis services for 2'-(Trimethylammonio)ethyl-4-(hexadecyloxy)-3-methoxybutane phosphonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.