Hydroquinidine 4-chlorobenzoate
TL;DR: Hydroquinidine 4-chlorobenzoate (CAS 113216-88-9) is a chemical compound with molecular formula C27H29ClN2O3 and molecular weight 464.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(5-ethyl-1-azabicyclo[2.2.2]octan-2-yl)-(6-methoxyquinolin-4-yl)methyl] 4-chlorobenzoate
Also Known As: Hydroquinidine 4-chlorobenzoate, (1R)-((2S,4S,5R)-5-Ethylquinuclidin-2-yl)(6-methoxyquinolin-4-yl)methyl 4-chlorobenzoate, [(5-ethyl-1-azabicyclo[2.2.2]oct-7-yl)-(6-methoxyquinolin-4-yl)methyl] 4-chlorobenzoate, [(5-ethyl-1-azabicyclo[2.2.2]octan-2-yl)-(6-methoxyquinolin-4-yl)methyl] 4-chlorobenzoate, {5-ethyl-1-azabicyclo[2.2.2]octan-2-yl}(6-methoxyquinolin-4-yl)methyl 4-chlorobenzoate
| Molecular Formula | C27H29ClN2O3 |
|---|---|
| Molecular Weight | 464.19 g/mol |
| LogP | 5.9153 |
| Topological Polar Surface Area | 51.66 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 464.18668 |
| Heavy Atoms | 33 |
| Complexity | 1149.8165 |
Chemical Identifiers
| CAS Number | 113216-88-9 |
|---|---|
| SMILES | CCC1CN2CCC1CC2C(C3=C4C=C(C=CC4=NC=C3)OC)OC(=O)C5=CC=C(C=C5)Cl |
Product Overview
Hydroquinidine 4-chlorobenzoate (CAS 113216-88-9), with molecular formula C27H29ClN2O3 and molecular weight 464.19 g/mol. IUPAC: [(5-ethyl-1-azabicyclo[2.2.2]octan-2-yl)-(6-methoxyquinolin-4-yl)methyl] 4-chlorobenzoate.
Chemical Property Profile of Hydroquinidine 4-chlorobenzoate
Property Insights of Hydroquinidine 4-chlorobenzoate
The XLogP value of 5.9153 indicates that Hydroquinidine 4-chlorobenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 51.66 Ų, Hydroquinidine 4-chlorobenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Hydroquinidine 4-chlorobenzoate has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Hydroquinidine 4-chlorobenzoate?
The CAS number of Hydroquinidine 4-chlorobenzoate is 113216-88-9.
What is the molecular formula of Hydroquinidine 4-chlorobenzoate?
The molecular formula of Hydroquinidine 4-chlorobenzoate is C27H29ClN2O3.
What is the molecular weight of Hydroquinidine 4-chlorobenzoate?
The molecular weight of Hydroquinidine 4-chlorobenzoate is 464.19 g/mol.
Where can I buy Hydroquinidine 4-chlorobenzoate?
You can request a quote for Hydroquinidine 4-chlorobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Hydroquinidine 4-chlorobenzoate?
Yes, KEHONG BIO provides custom synthesis services for Hydroquinidine 4-chlorobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.