![2-[(4-Nitrophenyl)methylidene]-1-azabicyclo[2.2.2]octan-3-one structure](/static/products/7933/79331-03-6.webp)
2-[(4-Nitrophenyl)methylidene]-1-azabicyclo[2.2.2]octan-3-one
TL;DR: 2-[(4-Nitrophenyl)methylidene]-1-azabicyclo[2.2.2]octan-3-one (CAS 79331-03-6) is a chemical compound with molecular formula C14H14N2O3 and molecular weight 258.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(4-nitrophenyl)methylidene]-1-azabicyclo[2.2.2]octan-3-one
Also Known As: ChemDiv1_022400, 2-[(4-nitrophenyl)methylidene]-1-azabicyclo[2.2.2]octan-3-one, 2-[(4-nitrophenyl)methylene]-3-quinuclidinone, 2-(4'-nitrobenzylidene)-3-oxoquinuclidine, (2Z)-2-(4-NITROBENZYLIDENE)QUINUCLIDIN-3-ONE
| Molecular Formula | C14H14N2O3 |
|---|---|
| Molecular Weight | 258.10 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 66.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 258.10043 |
| Heavy Atoms | 19 |
| Complexity | 411.0 |
Chemical Identifiers
| CAS Number | 79331-03-6 |
|---|---|
| SMILES | C1CN2CCC1C(=O)C2=CC3=CC=C(C=C3)[N+](=O)[O-] |
| InChIKey | WYLOZSIGADKNRC-UHFFFAOYSA-N |
Product Overview
2-[(4-Nitrophenyl)methylidene]-1-azabicyclo[2.2.2]octan-3-one (CAS 79331-03-6), with molecular formula C14H14N2O3 and molecular weight 258.10 g/mol. IUPAC: 2-[(4-nitrophenyl)methylidene]-1-azabicyclo[2.2.2]octan-3-one.
Chemical Property Profile of 2-[(4-Nitrophenyl)methylidene]-1-azabicyclo[2.2.2]octan-3-one
Property Insights of 2-[(4-Nitrophenyl)methylidene]-1-azabicyclo[2.2.2]octan-3-one
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[(4-Nitrophenyl)methylidene]-1-azabicyclo[2.2.2]octan-3-one. The TPSA of 66.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[(4-Nitrophenyl)methylidene]-1-azabicyclo[2.2.2]octan-3-one. Following Lipinski's Rule of Five, 2-[(4-Nitrophenyl)methylidene]-1-azabicyclo[2.2.2]octan-3-one 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-Nitrophenyl)methylidene]-1-azabicyclo[2.2.2]octan-3-one?
The CAS number of 2-[(4-Nitrophenyl)methylidene]-1-azabicyclo[2.2.2]octan-3-one is 79331-03-6.
What is the molecular formula of 2-[(4-Nitrophenyl)methylidene]-1-azabicyclo[2.2.2]octan-3-one?
The molecular formula of 2-[(4-Nitrophenyl)methylidene]-1-azabicyclo[2.2.2]octan-3-one is C14H14N2O3.
What is the molecular weight of 2-[(4-Nitrophenyl)methylidene]-1-azabicyclo[2.2.2]octan-3-one?
The molecular weight of 2-[(4-Nitrophenyl)methylidene]-1-azabicyclo[2.2.2]octan-3-one is 258.10 g/mol.
Where can I buy 2-[(4-Nitrophenyl)methylidene]-1-azabicyclo[2.2.2]octan-3-one?
You can request a quote for 2-[(4-Nitrophenyl)methylidene]-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-[(4-Nitrophenyl)methylidene]-1-azabicyclo[2.2.2]octan-3-one?
Yes, KEHONG BIO provides custom synthesis services for 2-[(4-Nitrophenyl)methylidene]-1-azabicyclo[2.2.2]octan-3-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.