![(2E)-2-(4-chlorobenzylidene)-1-azabicyclo[2.2.2]octan-3-one structure](/static/products/5452/54529-43-0.webp)
(2E)-2-(4-chlorobenzylidene)-1-azabicyclo[2.2.2]octan-3-one
TL;DR: (2E)-2-(4-chlorobenzylidene)-1-azabicyclo[2.2.2]octan-3-one (CAS 54529-43-0) is a chemical compound with molecular formula C14H14ClNO and molecular weight 247.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2E)-2-[(4-chlorophenyl)methylidene]-1-azabicyclo[2.2.2]octan-3-one
Also Known As: BAS 00874013, 2-(4-Chlorobenzylidene)quinuclidin-3-one, (E)-2-(4-chlorobenzylidene)quinuclidin-3-one, (1s,4s,E)-2-(4-chlorobenzylidene)quinuclidin-3-one, 2-(4-Chloro-benzylidene)-1-aza-bicyclo[2.2.2]octan-3-one
| Molecular Formula | C14H14ClNO |
|---|---|
| Molecular Weight | 247.08 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 20.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 247.07639 |
| Heavy Atoms | 17 |
| Complexity | 336.0 |
Chemical Identifiers
| CAS Number | 54529-43-0 |
|---|---|
| SMILES | C1CN\2CCC1C(=O)/C2=C\C3=CC=C(C=C3)Cl |
| InChIKey | KHICWBBWZMQJKM-UKTHLTGXSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
(2E)-2-(4-chlorobenzylidene)-1-azabicyclo[2.2.2]octan-3-one (CAS 54529-43-0), with molecular formula C14H14ClNO and molecular weight 247.08 g/mol. IUPAC: (2E)-2-[(4-chlorophenyl)methylidene]-1-azabicyclo[2.2.2]octan-3-one.
Chemical Property Profile of (2E)-2-(4-chlorobenzylidene)-1-azabicyclo[2.2.2]octan-3-one
Property Insights of (2E)-2-(4-chlorobenzylidene)-1-azabicyclo[2.2.2]octan-3-one
The XLogP value of 3.3 indicates that (2E)-2-(4-chlorobenzylidene)-1-azabicyclo[2.2.2]octan-3-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 20.3 Ų, (2E)-2-(4-chlorobenzylidene)-1-azabicyclo[2.2.2]octan-3-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (2E)-2-(4-chlorobenzylidene)-1-azabicyclo[2.2.2]octan-3-one 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 (2E)-2-(4-chlorobenzylidene)-1-azabicyclo[2.2.2]octan-3-one?
The CAS number of (2E)-2-(4-chlorobenzylidene)-1-azabicyclo[2.2.2]octan-3-one is 54529-43-0.
What is the molecular formula of (2E)-2-(4-chlorobenzylidene)-1-azabicyclo[2.2.2]octan-3-one?
The molecular formula of (2E)-2-(4-chlorobenzylidene)-1-azabicyclo[2.2.2]octan-3-one is C14H14ClNO.
What is the molecular weight of (2E)-2-(4-chlorobenzylidene)-1-azabicyclo[2.2.2]octan-3-one?
The molecular weight of (2E)-2-(4-chlorobenzylidene)-1-azabicyclo[2.2.2]octan-3-one is 247.08 g/mol.
Where can I buy (2E)-2-(4-chlorobenzylidene)-1-azabicyclo[2.2.2]octan-3-one?
You can request a quote for (2E)-2-(4-chlorobenzylidene)-1-azabicyclo[2.2.2]octan-3-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2E)-2-(4-chlorobenzylidene)-1-azabicyclo[2.2.2]octan-3-one?
Yes, KEHONG BIO provides custom synthesis services for (2E)-2-(4-chlorobenzylidene)-1-azabicyclo[2.2.2]octan-3-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.