![(2E)-2-[(6-bromo-1,3-benzodioxol-5-yl)methylidene]-1-azabicyclo[2.2.2]octan-3-one structure](/static/products/116/1164527-33-6.png)
(2E)-2-[(6-bromo-1,3-benzodioxol-5-yl)methylidene]-1-azabicyclo[2.2.2]octan-3-one
TL;DR: (2E)-2-[(6-bromo-1,3-benzodioxol-5-yl)methylidene]-1-azabicyclo[2.2.2]octan-3-one (CAS 1164527-33-6) is a chemical compound with molecular formula C15H14BrNO3 and molecular weight 335.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2E)-2-[(6-bromo-1,3-benzodioxol-5-yl)methylidene]-1-azabicyclo[2.2.2]octan-3-one
Also Known As: (2E)-2-[(6-bromo-1,3-benzodioxol-5-yl)methylidene]-1-azabicyclo[2.2.2]octan-3-one, (E)-2-((6-bromobenzo[d][1,3]dioxol-5-yl)methylene)quinuclidin-3-one, 2-[1-(6-Bromo-benzo[1,3]dioxol-5-yl)-meth-(E)-ylidene]-1-aza-bicyclo[2.2.2]octan-3-one
| Molecular Formula | C15H14BrNO3 |
|---|---|
| Molecular Weight | 335.02 g/mol |
| LogP | 2.8134 |
| Topological Polar Surface Area | 38.77 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 335.01572 |
| Heavy Atoms | 20 |
| Complexity | 617.7898 |
Chemical Identifiers
| CAS Number | 1164527-33-6 |
|---|---|
| SMILES | C1CN\2CCC1C(=O)/C2=C\C3=CC4=C(C=C3Br)OCO4 |
Product Overview
(2E)-2-[(6-bromo-1,3-benzodioxol-5-yl)methylidene]-1-azabicyclo[2.2.2]octan-3-one (CAS 1164527-33-6), with molecular formula C15H14BrNO3 and molecular weight 335.02 g/mol. IUPAC: (2E)-2-[(6-bromo-1,3-benzodioxol-5-yl)methylidene]-1-azabicyclo[2.2.2]octan-3-one.
Chemical Property Profile of (2E)-2-[(6-bromo-1,3-benzodioxol-5-yl)methylidene]-1-azabicyclo[2.2.2]octan-3-one
Property Insights of (2E)-2-[(6-bromo-1,3-benzodioxol-5-yl)methylidene]-1-azabicyclo[2.2.2]octan-3-one
The XLogP value of 2.8134 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (2E)-2-[(6-bromo-1,3-benzodioxol-5-yl)methylidene]-1-azabicyclo[2.2.2]octan-3-one. With a topological polar surface area (TPSA) of 38.77 Ų, (2E)-2-[(6-bromo-1,3-benzodioxol-5-yl)methylidene]-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-[(6-bromo-1,3-benzodioxol-5-yl)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 (2E)-2-[(6-bromo-1,3-benzodioxol-5-yl)methylidene]-1-azabicyclo[2.2.2]octan-3-one?
The CAS number of (2E)-2-[(6-bromo-1,3-benzodioxol-5-yl)methylidene]-1-azabicyclo[2.2.2]octan-3-one is 1164527-33-6.
What is the molecular formula of (2E)-2-[(6-bromo-1,3-benzodioxol-5-yl)methylidene]-1-azabicyclo[2.2.2]octan-3-one?
The molecular formula of (2E)-2-[(6-bromo-1,3-benzodioxol-5-yl)methylidene]-1-azabicyclo[2.2.2]octan-3-one is C15H14BrNO3.
What is the molecular weight of (2E)-2-[(6-bromo-1,3-benzodioxol-5-yl)methylidene]-1-azabicyclo[2.2.2]octan-3-one?
The molecular weight of (2E)-2-[(6-bromo-1,3-benzodioxol-5-yl)methylidene]-1-azabicyclo[2.2.2]octan-3-one is 335.02 g/mol.
Where can I buy (2E)-2-[(6-bromo-1,3-benzodioxol-5-yl)methylidene]-1-azabicyclo[2.2.2]octan-3-one?
You can request a quote for (2E)-2-[(6-bromo-1,3-benzodioxol-5-yl)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 (2E)-2-[(6-bromo-1,3-benzodioxol-5-yl)methylidene]-1-azabicyclo[2.2.2]octan-3-one?
Yes, KEHONG BIO provides custom synthesis services for (2E)-2-[(6-bromo-1,3-benzodioxol-5-yl)methylidene]-1-azabicyclo[2.2.2]octan-3-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.