![2-(Pyridin-2-ylmethylidene)-1-azabicyclo[2.2.2]octan-3-one structure](/static/products/4100/410087-17-1.webp)
2-(Pyridin-2-ylmethylidene)-1-azabicyclo[2.2.2]octan-3-one
TL;DR: 2-(Pyridin-2-ylmethylidene)-1-azabicyclo[2.2.2]octan-3-one (CAS 410087-17-1) is a chemical compound with molecular formula C13H14N2O and molecular weight 214.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(pyridin-2-ylmethylidene)-1-azabicyclo[2.2.2]octan-3-one
Also Known As: 2-[(E)-2-pyridinylmethylidene]-3-quinuclidinone, A4115/0175438, 1-Azabicyclo[2.2.2]octan-3-one,2-(2-pyridinylmethylene)-, 2-(pyridin-2-ylmethylidene)-1-azabicyclo[2.2.2]octan-3-one
| Molecular Formula | C13H14N2O |
|---|---|
| Molecular Weight | 214.11 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 33.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 214.11061 |
| Heavy Atoms | 16 |
| Complexity | 316.0 |
Chemical Identifiers
| CAS Number | 410087-17-1 |
|---|---|
| SMILES | C1CN2CCC1C(=O)C2=CC3=CC=CC=N3 |
| InChIKey | ZSFXRRSLLOTWGJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-(Pyridin-2-ylmethylidene)-1-azabicyclo[2.2.2]octan-3-one (CAS 410087-17-1), with molecular formula C13H14N2O and molecular weight 214.11 g/mol. IUPAC: 2-(pyridin-2-ylmethylidene)-1-azabicyclo[2.2.2]octan-3-one.
Chemical Property Profile of 2-(Pyridin-2-ylmethylidene)-1-azabicyclo[2.2.2]octan-3-one
Property Insights of 2-(Pyridin-2-ylmethylidene)-1-azabicyclo[2.2.2]octan-3-one
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(Pyridin-2-ylmethylidene)-1-azabicyclo[2.2.2]octan-3-one. With a topological polar surface area (TPSA) of 33.2 Ų, 2-(Pyridin-2-ylmethylidene)-1-azabicyclo[2.2.2]octan-3-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(Pyridin-2-ylmethylidene)-1-azabicyclo[2.2.2]octan-3-one has 0 hydrogen bond donor(s) and 3 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-(Pyridin-2-ylmethylidene)-1-azabicyclo[2.2.2]octan-3-one?
The CAS number of 2-(Pyridin-2-ylmethylidene)-1-azabicyclo[2.2.2]octan-3-one is 410087-17-1.
What is the molecular formula of 2-(Pyridin-2-ylmethylidene)-1-azabicyclo[2.2.2]octan-3-one?
The molecular formula of 2-(Pyridin-2-ylmethylidene)-1-azabicyclo[2.2.2]octan-3-one is C13H14N2O.
What is the molecular weight of 2-(Pyridin-2-ylmethylidene)-1-azabicyclo[2.2.2]octan-3-one?
The molecular weight of 2-(Pyridin-2-ylmethylidene)-1-azabicyclo[2.2.2]octan-3-one is 214.11 g/mol.
Where can I buy 2-(Pyridin-2-ylmethylidene)-1-azabicyclo[2.2.2]octan-3-one?
You can request a quote for 2-(Pyridin-2-ylmethylidene)-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 2-(Pyridin-2-ylmethylidene)-1-azabicyclo[2.2.2]octan-3-one?
Yes, KEHONG BIO provides custom synthesis services for 2-(Pyridin-2-ylmethylidene)-1-azabicyclo[2.2.2]octan-3-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.