Triethyl-2-(3,4,5-trimethoxybenzoyloxy)ethylammonium tosylate
TL;DR: Triethyl-2-(3,4,5-trimethoxybenzoyloxy)ethylammonium tosylate (CAS 391-70-8) is a chemical compound with molecular formula C25H37NO8S and molecular weight 511.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-methylbenzenesulfonate;triethyl-[2-(2,3,4-trimethoxybenzoyl)oxyethyl]azanium
Also Known As: Troxonium tosilate, Troxone, Troxonium tosylate, Troxonii tosilas, Tosilato de troxonio
| Molecular Formula | C25H37NO8S |
|---|---|
| Molecular Weight | 511.22 g/mol |
| LogP | 3.64 |
| Topological Polar Surface Area | 120.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 11 |
| Exact Mass | 511.224 |
| Heavy Atoms | 35 |
| Complexity | 557.0 |
Chemical Identifiers
| CAS Number | 391-70-8 |
|---|---|
| SMILES | CC[N+](CC)(CC)CCOC(=O)C1=C(C(=C(C=C1)OC)OC)OC.CC1=CC=C(C=C1)S(=O)(=O)[O-] |
| InChIKey | AJIXENUYZFYPEY-UHFFFAOYSA-M |
Product Overview
Triethyl-2-(3,4,5-trimethoxybenzoyloxy)ethylammonium tosylate (CAS 391-70-8), with molecular formula C25H37NO8S and molecular weight 511.22 g/mol. IUPAC: 4-methylbenzenesulfonate;triethyl-[2-(2,3,4-trimethoxybenzoyl)oxyethyl]azanium.
Chemical Property Profile of Triethyl-2-(3,4,5-trimethoxybenzoyloxy)ethylammonium tosylate
Property Insights of Triethyl-2-(3,4,5-trimethoxybenzoyloxy)ethylammonium tosylate
The XLogP value of 3.64 indicates that Triethyl-2-(3,4,5-trimethoxybenzoyloxy)ethylammonium tosylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 120.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Triethyl-2-(3,4,5-trimethoxybenzoyloxy)ethylammonium tosylate. Following Lipinski's Rule of Five, Triethyl-2-(3,4,5-trimethoxybenzoyloxy)ethylammonium tosylate has 0 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 Triethyl-2-(3,4,5-trimethoxybenzoyloxy)ethylammonium tosylate?
The CAS number of Triethyl-2-(3,4,5-trimethoxybenzoyloxy)ethylammonium tosylate is 391-70-8.
What is the molecular formula of Triethyl-2-(3,4,5-trimethoxybenzoyloxy)ethylammonium tosylate?
The molecular formula of Triethyl-2-(3,4,5-trimethoxybenzoyloxy)ethylammonium tosylate is C25H37NO8S.
What is the molecular weight of Triethyl-2-(3,4,5-trimethoxybenzoyloxy)ethylammonium tosylate?
The molecular weight of Triethyl-2-(3,4,5-trimethoxybenzoyloxy)ethylammonium tosylate is 511.22 g/mol.
Where can I buy Triethyl-2-(3,4,5-trimethoxybenzoyloxy)ethylammonium tosylate?
You can request a quote for Triethyl-2-(3,4,5-trimethoxybenzoyloxy)ethylammonium tosylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Triethyl-2-(3,4,5-trimethoxybenzoyloxy)ethylammonium tosylate?
Yes, KEHONG BIO provides custom synthesis services for Triethyl-2-(3,4,5-trimethoxybenzoyloxy)ethylammonium tosylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.