2-(4-Chlorobenzyl)-3-quinuclidinone
TL;DR: 2-(4-Chlorobenzyl)-3-quinuclidinone (CAS 112628-51-0) is a chemical compound with molecular formula C14H16ClNO and molecular weight 249.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(4-chlorophenyl)methyl]-1-azabicyclo[2.2.2]octan-3-one
Also Known As: 2-(4-chlorobenzyl)-3-quinuclidinone, 2-[(4-chlorophenyl)methyl]-1-azabicyclo[2.2.2]octan-3-one, 2-(4-Chlorobenzyl)quinuclidin-3-one, 2-[(4-iodophenyl)methyl]azepane-3,6-dione, 2-[(4-chlorophenyl)methyl]quinuclidin-3-one
| Molecular Formula | C14H16ClNO |
|---|---|
| Molecular Weight | 249.09 g/mol |
| LogP | 2.5458 |
| Topological Polar Surface Area | 20.31 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 249.09204 |
| Heavy Atoms | 17 |
| Complexity | 420.35327 |
Chemical Identifiers
| CAS Number | 112628-51-0 |
|---|---|
| SMILES | C1CN2CCC1C(=O)C2CC3=CC=C(C=C3)Cl |
Product Overview
2-(4-Chlorobenzyl)-3-quinuclidinone (CAS 112628-51-0), with molecular formula C14H16ClNO and molecular weight 249.09 g/mol. IUPAC: 2-[(4-chlorophenyl)methyl]-1-azabicyclo[2.2.2]octan-3-one.
Chemical Property Profile of 2-(4-Chlorobenzyl)-3-quinuclidinone
Property Insights of 2-(4-Chlorobenzyl)-3-quinuclidinone
The XLogP value of 2.5458 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(4-Chlorobenzyl)-3-quinuclidinone. With a topological polar surface area (TPSA) of 20.31 Ų, 2-(4-Chlorobenzyl)-3-quinuclidinone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(4-Chlorobenzyl)-3-quinuclidinone has 0 hydrogen bond donor(s) and 2 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-Chlorobenzyl)-3-quinuclidinone?
The CAS number of 2-(4-Chlorobenzyl)-3-quinuclidinone is 112628-51-0.
What is the molecular formula of 2-(4-Chlorobenzyl)-3-quinuclidinone?
The molecular formula of 2-(4-Chlorobenzyl)-3-quinuclidinone is C14H16ClNO.
What is the molecular weight of 2-(4-Chlorobenzyl)-3-quinuclidinone?
The molecular weight of 2-(4-Chlorobenzyl)-3-quinuclidinone is 249.09 g/mol.
Where can I buy 2-(4-Chlorobenzyl)-3-quinuclidinone?
You can request a quote for 2-(4-Chlorobenzyl)-3-quinuclidinone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(4-Chlorobenzyl)-3-quinuclidinone?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-Chlorobenzyl)-3-quinuclidinone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.