![(2E)-2-(2,3-dimethoxybenzylidene)-1-azabicyclo[2.2.2]octan-3-one structure](/static/products/2991/299166-14-6.webp)
(2E)-2-(2,3-dimethoxybenzylidene)-1-azabicyclo[2.2.2]octan-3-one
TL;DR: (2E)-2-(2,3-dimethoxybenzylidene)-1-azabicyclo[2.2.2]octan-3-one (CAS 299166-14-6) is a chemical compound with molecular formula C16H19NO3 and molecular weight 273.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2E)-2-[(2,3-dimethoxyphenyl)methylidene]-1-azabicyclo[2.2.2]octan-3-one
Also Known As: BAS 02378006, (2E)-2-(2,3-dimethoxybenzylidene)-1-azabicyclo[2.2.2]octan-3-one, 2-(2,3-dimethoxybenzylidene)quinuclidin-3-one, (E)-2-(2,3-dimethoxybenzylidene)quinuclidin-3-one, AF-399/15030075
| Molecular Formula | C16H19NO3 |
|---|---|
| Molecular Weight | 273.14 g/mol |
| LogP | 2.3394 |
| Topological Polar Surface Area | 38.77 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 273.1365 |
| Heavy Atoms | 20 |
| Complexity | 556.84045 |
Chemical Identifiers
| CAS Number | 299166-14-6 |
|---|---|
| SMILES | COC1=CC=CC(=C1OC)/C=C/2\C(=O)C3CCN2CC3 |
Product Overview
(2E)-2-(2,3-dimethoxybenzylidene)-1-azabicyclo[2.2.2]octan-3-one (CAS 299166-14-6), with molecular formula C16H19NO3 and molecular weight 273.14 g/mol. IUPAC: (2E)-2-[(2,3-dimethoxyphenyl)methylidene]-1-azabicyclo[2.2.2]octan-3-one.
Chemical Property Profile of (2E)-2-(2,3-dimethoxybenzylidene)-1-azabicyclo[2.2.2]octan-3-one
Property Insights of (2E)-2-(2,3-dimethoxybenzylidene)-1-azabicyclo[2.2.2]octan-3-one
The XLogP value of 2.3394 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (2E)-2-(2,3-dimethoxybenzylidene)-1-azabicyclo[2.2.2]octan-3-one. With a topological polar surface area (TPSA) of 38.77 Ų, (2E)-2-(2,3-dimethoxybenzylidene)-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-(2,3-dimethoxybenzylidene)-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 (2E)-2-(2,3-dimethoxybenzylidene)-1-azabicyclo[2.2.2]octan-3-one?
The CAS number of (2E)-2-(2,3-dimethoxybenzylidene)-1-azabicyclo[2.2.2]octan-3-one is 299166-14-6.
What is the molecular formula of (2E)-2-(2,3-dimethoxybenzylidene)-1-azabicyclo[2.2.2]octan-3-one?
The molecular formula of (2E)-2-(2,3-dimethoxybenzylidene)-1-azabicyclo[2.2.2]octan-3-one is C16H19NO3.
What is the molecular weight of (2E)-2-(2,3-dimethoxybenzylidene)-1-azabicyclo[2.2.2]octan-3-one?
The molecular weight of (2E)-2-(2,3-dimethoxybenzylidene)-1-azabicyclo[2.2.2]octan-3-one is 273.14 g/mol.
Where can I buy (2E)-2-(2,3-dimethoxybenzylidene)-1-azabicyclo[2.2.2]octan-3-one?
You can request a quote for (2E)-2-(2,3-dimethoxybenzylidene)-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-(2,3-dimethoxybenzylidene)-1-azabicyclo[2.2.2]octan-3-one?
Yes, KEHONG BIO provides custom synthesis services for (2E)-2-(2,3-dimethoxybenzylidene)-1-azabicyclo[2.2.2]octan-3-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.