Triethyl(2-hydroxyethyl)ammonium 3,4,5-trimethoxybenzoate
TL;DR: Triethyl(2-hydroxyethyl)ammonium 3,4,5-trimethoxybenzoate (CAS 4386-76-9) is a chemical compound with molecular formula C18H30NO5+ and molecular weight 340.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
triethyl-[2-(2,3,4-trimethoxybenzoyl)oxyethyl]azanium
Also Known As: Troxonium, Triethyl(2-hydroxyethyl)ammonium 3,4,5-trimethoxybenzoate, Triethyl-[2-(2,3,4-trimethoxybenzoyl)oxyethyl]azanium, N,N,N-Triethyl-2-[(2,3,4-trimethoxybenzoyl)oxy]ethan-1-aminium
| Molecular Formula | C18H30NO5+ |
|---|---|
| Molecular Weight | 340.21 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 54.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 11 |
| Exact Mass | 340.2124 |
| Heavy Atoms | 24 |
| Complexity | 364.0 |
Chemical Identifiers
| CAS Number | 4386-76-9 |
|---|---|
| SMILES | CC[N+](CC)(CC)CCOC(=O)C1=C(C(=C(C=C1)OC)OC)OC |
| InChIKey | YQRFAPMGXPGMSM-UHFFFAOYSA-N |
Product Overview
Triethyl(2-hydroxyethyl)ammonium 3,4,5-trimethoxybenzoate (CAS 4386-76-9), with molecular formula C18H30NO5+ and molecular weight 340.21 g/mol. IUPAC: triethyl-[2-(2,3,4-trimethoxybenzoyl)oxyethyl]azanium.
Chemical Property Profile of Triethyl(2-hydroxyethyl)ammonium 3,4,5-trimethoxybenzoate
Property Insights of Triethyl(2-hydroxyethyl)ammonium 3,4,5-trimethoxybenzoate
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Triethyl(2-hydroxyethyl)ammonium 3,4,5-trimethoxybenzoate. With a topological polar surface area (TPSA) of 54.0 Ų, Triethyl(2-hydroxyethyl)ammonium 3,4,5-trimethoxybenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Triethyl(2-hydroxyethyl)ammonium 3,4,5-trimethoxybenzoate has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Triethyl(2-hydroxyethyl)ammonium 3,4,5-trimethoxybenzoate?
The CAS number of Triethyl(2-hydroxyethyl)ammonium 3,4,5-trimethoxybenzoate is 4386-76-9.
What is the molecular formula of Triethyl(2-hydroxyethyl)ammonium 3,4,5-trimethoxybenzoate?
The molecular formula of Triethyl(2-hydroxyethyl)ammonium 3,4,5-trimethoxybenzoate is C18H30NO5+.
What is the molecular weight of Triethyl(2-hydroxyethyl)ammonium 3,4,5-trimethoxybenzoate?
The molecular weight of Triethyl(2-hydroxyethyl)ammonium 3,4,5-trimethoxybenzoate is 340.21 g/mol.
Where can I buy Triethyl(2-hydroxyethyl)ammonium 3,4,5-trimethoxybenzoate?
You can request a quote for Triethyl(2-hydroxyethyl)ammonium 3,4,5-trimethoxybenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Triethyl(2-hydroxyethyl)ammonium 3,4,5-trimethoxybenzoate?
Yes, KEHONG BIO provides custom synthesis services for Triethyl(2-hydroxyethyl)ammonium 3,4,5-trimethoxybenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.