6'-Methoxycinchonan-9-yl 4-chlorobenzoate
TL;DR: 6'-Methoxycinchonan-9-yl 4-chlorobenzoate (CAS 1286734-92-6) is a chemical compound with molecular formula C27H27ClN2O3 and molecular weight 462.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl)-(6-methoxyquinolin-4-yl)methyl] 4-chlorobenzoate
Also Known As: 6'-methoxycinchonan-9-yl 4-chlorobenzoate, (6-methoxy(4-quinolyl))(5-vinylquinuclidin-2-yl)methyl 4-chlorobenzoate, [(5-ethenyl-1-azabicyclo[2.2.2]oct-7-yl)-(6-methoxyquinolin-4-yl)methyl] 4-chlorobenzoate, [(5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl)-(6-methoxyquinolin-4-yl)methyl] 4-chlorobenzoate
| Molecular Formula | C27H27ClN2O3 |
|---|---|
| Molecular Weight | 462.17 g/mol |
| LogP | 5.6913 |
| Topological Polar Surface Area | 51.66 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 462.17102 |
| Heavy Atoms | 33 |
| Complexity | 1179.705 |
Chemical Identifiers
| CAS Number | 1286734-92-6 |
|---|---|
| SMILES | COC1=CC2=C(C=CN=C2C=C1)C(C3CC4CCN3CC4C=C)OC(=O)C5=CC=C(C=C5)Cl |
Product Overview
6'-Methoxycinchonan-9-yl 4-chlorobenzoate (CAS 1286734-92-6), with molecular formula C27H27ClN2O3 and molecular weight 462.17 g/mol. IUPAC: [(5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl)-(6-methoxyquinolin-4-yl)methyl] 4-chlorobenzoate.
Chemical Property Profile of 6'-Methoxycinchonan-9-yl 4-chlorobenzoate
Property Insights of 6'-Methoxycinchonan-9-yl 4-chlorobenzoate
The XLogP value of 5.6913 indicates that 6'-Methoxycinchonan-9-yl 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, 6'-Methoxycinchonan-9-yl 4-chlorobenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6'-Methoxycinchonan-9-yl 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 6'-Methoxycinchonan-9-yl 4-chlorobenzoate?
The CAS number of 6'-Methoxycinchonan-9-yl 4-chlorobenzoate is 1286734-92-6.
What is the molecular formula of 6'-Methoxycinchonan-9-yl 4-chlorobenzoate?
The molecular formula of 6'-Methoxycinchonan-9-yl 4-chlorobenzoate is C27H27ClN2O3.
What is the molecular weight of 6'-Methoxycinchonan-9-yl 4-chlorobenzoate?
The molecular weight of 6'-Methoxycinchonan-9-yl 4-chlorobenzoate is 462.17 g/mol.
Where can I buy 6'-Methoxycinchonan-9-yl 4-chlorobenzoate?
You can request a quote for 6'-Methoxycinchonan-9-yl 4-chlorobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6'-Methoxycinchonan-9-yl 4-chlorobenzoate?
Yes, KEHONG BIO provides custom synthesis services for 6'-Methoxycinchonan-9-yl 4-chlorobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.