(2-(4-Benzoyl-3-hydroxyphenoxy)ethyl)triethylammonium bromide
TL;DR: (2-(4-Benzoyl-3-hydroxyphenoxy)ethyl)triethylammonium bromide (CAS 84604-79-5) is a chemical compound with molecular formula C21H28BrNO3 and molecular weight 421.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-benzoyl-3-hydroxyphenoxy)ethyl-triethylazanium bromide
Also Known As: EINECS 283-362-4, [2- ethyl]triethylammoniumbromide, (2-(4-Benzoyl-3-hydroxyphenoxy)ethyl)triethylammonium bromide, [2-(4-BENZOYL-3-HYDROXYPHENOXY)ETHYL]TRIETHYLAMMONIUM BROMIDE, 2-(4-Benzoyl-3-hydroxyphenoxy)-N,N,N-triethylethanaminium bromide
| Molecular Formula | C21H28BrNO3 |
|---|---|
| Molecular Weight | 421.13 g/mol |
| LogP | 0.8825 |
| Topological Polar Surface Area | 46.53 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 9 |
| Exact Mass | 421.12527 |
| Heavy Atoms | 26 |
| Complexity | 691.39264 |
Chemical Identifiers
| CAS Number | 84604-79-5 |
|---|---|
| SMILES | CC[N+](CC)(CC)CCOC1=CC(=C(C=C1)C(=O)C2=CC=CC=C2)O.[Br-] |
Product Overview
(2-(4-Benzoyl-3-hydroxyphenoxy)ethyl)triethylammonium bromide (CAS 84604-79-5), with molecular formula C21H28BrNO3 and molecular weight 421.13 g/mol. IUPAC: 2-(4-benzoyl-3-hydroxyphenoxy)ethyl-triethylazanium bromide.
Chemical Property Profile of (2-(4-Benzoyl-3-hydroxyphenoxy)ethyl)triethylammonium bromide
Property Insights of (2-(4-Benzoyl-3-hydroxyphenoxy)ethyl)triethylammonium bromide
The XLogP value of 0.8825 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (2-(4-Benzoyl-3-hydroxyphenoxy)ethyl)triethylammonium bromide. With a topological polar surface area (TPSA) of 46.53 Ų, (2-(4-Benzoyl-3-hydroxyphenoxy)ethyl)triethylammonium bromide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (2-(4-Benzoyl-3-hydroxyphenoxy)ethyl)triethylammonium bromide has 1 hydrogen bond donor(s) and 3 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 (2-(4-Benzoyl-3-hydroxyphenoxy)ethyl)triethylammonium bromide?
The CAS number of (2-(4-Benzoyl-3-hydroxyphenoxy)ethyl)triethylammonium bromide is 84604-79-5.
What is the molecular formula of (2-(4-Benzoyl-3-hydroxyphenoxy)ethyl)triethylammonium bromide?
The molecular formula of (2-(4-Benzoyl-3-hydroxyphenoxy)ethyl)triethylammonium bromide is C21H28BrNO3.
What is the molecular weight of (2-(4-Benzoyl-3-hydroxyphenoxy)ethyl)triethylammonium bromide?
The molecular weight of (2-(4-Benzoyl-3-hydroxyphenoxy)ethyl)triethylammonium bromide is 421.13 g/mol.
Where can I buy (2-(4-Benzoyl-3-hydroxyphenoxy)ethyl)triethylammonium bromide?
You can request a quote for (2-(4-Benzoyl-3-hydroxyphenoxy)ethyl)triethylammonium bromide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2-(4-Benzoyl-3-hydroxyphenoxy)ethyl)triethylammonium bromide?
Yes, KEHONG BIO provides custom synthesis services for (2-(4-Benzoyl-3-hydroxyphenoxy)ethyl)triethylammonium bromide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.