Benzyldiethyl(2-(4-(1,1,3,3-tetramethylbutyl)phenoxy)ethyl)ammonium acetate
TL;DR: Benzyldiethyl(2-(4-(1,1,3,3-tetramethylbutyl)phenoxy)ethyl)ammonium acetate (CAS 83833-10-7) is a chemical compound with molecular formula C29H45NO3 and molecular weight 455.34 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzyl-diethyl-[2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]ethyl]azanium acetate
Also Known As: EINECS 280-983-2, Benzyldiethyl(2-(4-(1,1,3,3-tetramethylbutyl)phenoxy)ethyl)ammonium acetate, Benzenemethanaminium, N,N-diethyl-N-(2-(4-(1,1,3,3-tetramethylbutyl)phenoxy)ethyl)-, acetate, benzyl-diethyl-[2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]ethyl]azanium acetate, benzyl-diethyl-[2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]ethyl]azanium,acetate
| Molecular Formula | C29H45NO3 |
|---|---|
| Molecular Weight | 455.34 g/mol |
| LogP | 5.5922 |
| Topological Polar Surface Area | 49.36 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 10 |
| Exact Mass | 455.33994 |
| Heavy Atoms | 33 |
| Complexity | 812.19556 |
Chemical Identifiers
| CAS Number | 83833-10-7 |
|---|---|
| SMILES | CC[N+](CC)(CCOC1=CC=C(C=C1)C(C)(C)CC(C)(C)C)CC2=CC=CC=C2.CC(=O)[O-] |
Product Overview
Benzyldiethyl(2-(4-(1,1,3,3-tetramethylbutyl)phenoxy)ethyl)ammonium acetate (CAS 83833-10-7), with molecular formula C29H45NO3 and molecular weight 455.34 g/mol. IUPAC: benzyl-diethyl-[2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]ethyl]azanium acetate.
Chemical Property Profile of Benzyldiethyl(2-(4-(1,1,3,3-tetramethylbutyl)phenoxy)ethyl)ammonium acetate
Property Insights of Benzyldiethyl(2-(4-(1,1,3,3-tetramethylbutyl)phenoxy)ethyl)ammonium acetate
The XLogP value of 5.5922 indicates that Benzyldiethyl(2-(4-(1,1,3,3-tetramethylbutyl)phenoxy)ethyl)ammonium acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 49.36 Ų, Benzyldiethyl(2-(4-(1,1,3,3-tetramethylbutyl)phenoxy)ethyl)ammonium acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzyldiethyl(2-(4-(1,1,3,3-tetramethylbutyl)phenoxy)ethyl)ammonium acetate has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Benzyldiethyl(2-(4-(1,1,3,3-tetramethylbutyl)phenoxy)ethyl)ammonium acetate?
The CAS number of Benzyldiethyl(2-(4-(1,1,3,3-tetramethylbutyl)phenoxy)ethyl)ammonium acetate is 83833-10-7.
What is the molecular formula of Benzyldiethyl(2-(4-(1,1,3,3-tetramethylbutyl)phenoxy)ethyl)ammonium acetate?
The molecular formula of Benzyldiethyl(2-(4-(1,1,3,3-tetramethylbutyl)phenoxy)ethyl)ammonium acetate is C29H45NO3.
What is the molecular weight of Benzyldiethyl(2-(4-(1,1,3,3-tetramethylbutyl)phenoxy)ethyl)ammonium acetate?
The molecular weight of Benzyldiethyl(2-(4-(1,1,3,3-tetramethylbutyl)phenoxy)ethyl)ammonium acetate is 455.34 g/mol.
Where can I buy Benzyldiethyl(2-(4-(1,1,3,3-tetramethylbutyl)phenoxy)ethyl)ammonium acetate?
You can request a quote for Benzyldiethyl(2-(4-(1,1,3,3-tetramethylbutyl)phenoxy)ethyl)ammonium acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzyldiethyl(2-(4-(1,1,3,3-tetramethylbutyl)phenoxy)ethyl)ammonium acetate?
Yes, KEHONG BIO provides custom synthesis services for Benzyldiethyl(2-(4-(1,1,3,3-tetramethylbutyl)phenoxy)ethyl)ammonium acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.