Benzyl(11-(benzyl(2-hydroxyphenethyl)amino)undecyl)(2-hydroxyethyl)phenacylammonium chloride
TL;DR: Benzyl(11-(benzyl(2-hydroxyphenethyl)amino)undecyl)(2-hydroxyethyl)phenacylammonium chloride (CAS 84254-85-3) is a chemical compound with molecular formula C43H57ClN2O3 and molecular weight 684.41 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzyl-[11-[benzyl-[2-(2-hydroxyphenyl)ethyl]amino]undecyl]-(4-hydroxy-1-oxo-1-phenylbutan-2-yl)azanium chloride
Also Known As: Benzyl(11-(benzyl(2-hydroxyphenethyl)amino)undecyl)(2-hydroxyethyl)phenacylammonium chloride, BENZYL-[11-[BENZYL-[2-(2-HYDROXYPHENYL)ETHYL]AMINO]UNDECYL]-(4-HYDROXY-1-OXO-1-PHENYL-BUTAN-2-YL)AZANIUM CHLORIDE, benzyl-[11-[benzyl-[2-(2-hydroxyphenyl)ethyl]amino]undecyl]-(4-hydroxy-1-oxo-1-phenylbutan-2-yl)azanium chloride
| Molecular Formula | C43H57ClN2O3 |
|---|---|
| Molecular Weight | 684.41 g/mol |
| LogP | 4.6708 |
| Topological Polar Surface Area | 65.21 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 24 |
| Exact Mass | 684.40576 |
| Heavy Atoms | 49 |
| Complexity | 1420.9706 |
Chemical Identifiers
| CAS Number | 84254-85-3 |
|---|---|
| SMILES | C1=CC=C(C=C1)C[NH+](CCCCCCCCCCCN(CCC2=CC=CC=C2O)CC3=CC=CC=C3)C(CCO)C(=O)C4=CC=CC=C4.[Cl-] |
Product Overview
Benzyl(11-(benzyl(2-hydroxyphenethyl)amino)undecyl)(2-hydroxyethyl)phenacylammonium chloride (CAS 84254-85-3), with molecular formula C43H57ClN2O3 and molecular weight 684.41 g/mol. IUPAC: benzyl-[11-[benzyl-[2-(2-hydroxyphenyl)ethyl]amino]undecyl]-(4-hydroxy-1-oxo-1-phenylbutan-2-yl)azanium chloride.
Chemical Property Profile of Benzyl(11-(benzyl(2-hydroxyphenethyl)amino)undecyl)(2-hydroxyethyl)phenacylammonium chloride
Property Insights of Benzyl(11-(benzyl(2-hydroxyphenethyl)amino)undecyl)(2-hydroxyethyl)phenacylammonium chloride
The XLogP value of 4.6708 indicates that Benzyl(11-(benzyl(2-hydroxyphenethyl)amino)undecyl)(2-hydroxyethyl)phenacylammonium chloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 65.21 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzyl(11-(benzyl(2-hydroxyphenethyl)amino)undecyl)(2-hydroxyethyl)phenacylammonium chloride. Following Lipinski's Rule of Five, Benzyl(11-(benzyl(2-hydroxyphenethyl)amino)undecyl)(2-hydroxyethyl)phenacylammonium chloride has 3 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Benzyl(11-(benzyl(2-hydroxyphenethyl)amino)undecyl)(2-hydroxyethyl)phenacylammonium chloride?
The CAS number of Benzyl(11-(benzyl(2-hydroxyphenethyl)amino)undecyl)(2-hydroxyethyl)phenacylammonium chloride is 84254-85-3.
What is the molecular formula of Benzyl(11-(benzyl(2-hydroxyphenethyl)amino)undecyl)(2-hydroxyethyl)phenacylammonium chloride?
The molecular formula of Benzyl(11-(benzyl(2-hydroxyphenethyl)amino)undecyl)(2-hydroxyethyl)phenacylammonium chloride is C43H57ClN2O3.
What is the molecular weight of Benzyl(11-(benzyl(2-hydroxyphenethyl)amino)undecyl)(2-hydroxyethyl)phenacylammonium chloride?
The molecular weight of Benzyl(11-(benzyl(2-hydroxyphenethyl)amino)undecyl)(2-hydroxyethyl)phenacylammonium chloride is 684.41 g/mol.
Where can I buy Benzyl(11-(benzyl(2-hydroxyphenethyl)amino)undecyl)(2-hydroxyethyl)phenacylammonium chloride?
You can request a quote for Benzyl(11-(benzyl(2-hydroxyphenethyl)amino)undecyl)(2-hydroxyethyl)phenacylammonium chloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzyl(11-(benzyl(2-hydroxyphenethyl)amino)undecyl)(2-hydroxyethyl)phenacylammonium chloride?
Yes, KEHONG BIO provides custom synthesis services for Benzyl(11-(benzyl(2-hydroxyphenethyl)amino)undecyl)(2-hydroxyethyl)phenacylammonium chloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.