2-Benzylidene-3-quinuclidinone
TL;DR: 2-Benzylidene-3-quinuclidinone (CAS 24123-89-5) is a chemical compound with molecular formula C14H15NO and molecular weight 213.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-benzylidene-1-azabicyclo[2.2.2]octan-3-one
Also Known As: Maybridge3_005984, 2-Benzylidene-3-quinuclidinone, 2-benzylidene-1-azabicyclo[2.2.2]octan-3-one, 2-benzylidene-3-oxoquinuclidine, 2-benzylidene-quinuclidin-3-one
| Molecular Formula | C14H15NO |
|---|---|
| Molecular Weight | 213.12 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 20.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 213.11537 |
| Heavy Atoms | 16 |
| Complexity | 307.0 |
Chemical Identifiers
| CAS Number | 24123-89-5 |
|---|---|
| SMILES | C1CN2CCC1C(=O)C2=CC3=CC=CC=C3 |
| InChIKey | RBGFDYWXBIXLSF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Benzylidene-3-quinuclidinone (CAS 24123-89-5), with molecular formula C14H15NO and molecular weight 213.12 g/mol. IUPAC: 2-benzylidene-1-azabicyclo[2.2.2]octan-3-one.
Chemical Property Profile of 2-Benzylidene-3-quinuclidinone
Property Insights of 2-Benzylidene-3-quinuclidinone
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Benzylidene-3-quinuclidinone. With a topological polar surface area (TPSA) of 20.3 Ų, 2-Benzylidene-3-quinuclidinone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Benzylidene-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-Benzylidene-3-quinuclidinone?
The CAS number of 2-Benzylidene-3-quinuclidinone is 24123-89-5.
What is the molecular formula of 2-Benzylidene-3-quinuclidinone?
The molecular formula of 2-Benzylidene-3-quinuclidinone is C14H15NO.
What is the molecular weight of 2-Benzylidene-3-quinuclidinone?
The molecular weight of 2-Benzylidene-3-quinuclidinone is 213.12 g/mol.
Where can I buy 2-Benzylidene-3-quinuclidinone?
You can request a quote for 2-Benzylidene-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-Benzylidene-3-quinuclidinone?
Yes, KEHONG BIO provides custom synthesis services for 2-Benzylidene-3-quinuclidinone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.