2-(4-(2-Phenoxyethoxy)benzyl)quinuclidin-3-one hydrochloride
TL;DR: 2-(4-(2-Phenoxyethoxy)benzyl)quinuclidin-3-one hydrochloride (CAS 103660-59-9) is a chemical compound with molecular formula C22H26ClNO3 and molecular weight 387.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[4-(2-phenoxyethoxy)phenyl]methyl]-1-azabicyclo[2.2.2]octan-3-one;hydrochloride
Also Known As: 2-(4-(2-phenoxyethoxy)benzyl)quinuclidin-3-one hydrochloride, 2-[[4-(2-phenoxyethoxy)phenyl]methyl]-1-azabicyclo[2.2.2]octan-3-one hydrochloride
| Molecular Formula | C22H26ClNO3 |
|---|---|
| Molecular Weight | 387.16 g/mol |
| LogP | 3.772 |
| Topological Polar Surface Area | 38.77 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 387.16013 |
| Heavy Atoms | 27 |
| Complexity | 726.9829 |
Chemical Identifiers
| CAS Number | 103660-59-9 |
|---|---|
| SMILES | C1CN2CCC1C(=O)C2CC3=CC=C(C=C3)OCCOC4=CC=CC=C4.Cl |
Product Overview
2-(4-(2-Phenoxyethoxy)benzyl)quinuclidin-3-one hydrochloride (CAS 103660-59-9), with molecular formula C22H26ClNO3 and molecular weight 387.16 g/mol. IUPAC: 2-[[4-(2-phenoxyethoxy)phenyl]methyl]-1-azabicyclo[2.2.2]octan-3-one;hydrochloride.
Chemical Property Profile of 2-(4-(2-Phenoxyethoxy)benzyl)quinuclidin-3-one hydrochloride
Property Insights of 2-(4-(2-Phenoxyethoxy)benzyl)quinuclidin-3-one hydrochloride
The XLogP value of 3.772 indicates that 2-(4-(2-Phenoxyethoxy)benzyl)quinuclidin-3-one hydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 38.77 Ų, 2-(4-(2-Phenoxyethoxy)benzyl)quinuclidin-3-one hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(4-(2-Phenoxyethoxy)benzyl)quinuclidin-3-one hydrochloride has 0 hydrogen bond donor(s) and 4 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-(2-Phenoxyethoxy)benzyl)quinuclidin-3-one hydrochloride?
The CAS number of 2-(4-(2-Phenoxyethoxy)benzyl)quinuclidin-3-one hydrochloride is 103660-59-9.
What is the molecular formula of 2-(4-(2-Phenoxyethoxy)benzyl)quinuclidin-3-one hydrochloride?
The molecular formula of 2-(4-(2-Phenoxyethoxy)benzyl)quinuclidin-3-one hydrochloride is C22H26ClNO3.
What is the molecular weight of 2-(4-(2-Phenoxyethoxy)benzyl)quinuclidin-3-one hydrochloride?
The molecular weight of 2-(4-(2-Phenoxyethoxy)benzyl)quinuclidin-3-one hydrochloride is 387.16 g/mol.
Where can I buy 2-(4-(2-Phenoxyethoxy)benzyl)quinuclidin-3-one hydrochloride?
You can request a quote for 2-(4-(2-Phenoxyethoxy)benzyl)quinuclidin-3-one hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(4-(2-Phenoxyethoxy)benzyl)quinuclidin-3-one hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-(2-Phenoxyethoxy)benzyl)quinuclidin-3-one hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.