![2-[(6-Chloro-1,3-benzodioxol-5-yl)methylene]quinuclidin-3-one structure](/static/products/116/1164488-71-4.png)
2-[(6-Chloro-1,3-benzodioxol-5-yl)methylene]quinuclidin-3-one
TL;DR: 2-[(6-Chloro-1,3-benzodioxol-5-yl)methylene]quinuclidin-3-one (CAS 1164488-71-4) is a chemical compound with molecular formula C15H14ClNO3 and molecular weight 291.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2E)-2-[(6-chloro-1,3-benzodioxol-5-yl)methylidene]-1-azabicyclo[2.2.2]octan-3-one
Also Known As: BAS 02378009, 2-[(6-chloro-1,3-benzodioxol-5-yl)methylene]quinuclidin-3-one, AF-399/37418011, (2E)-2-[(6-chloro-1,3-benzodioxol-5-yl)methylidene]-1-azabicyclo[2.2.2]octan-3-one, 2-(6-Chloro-benzo[1,3]dioxol-5-ylmethylene)-1-aza-bicyclo[2.2.2]octan-3-one
| Molecular Formula | C15H14ClNO3 |
|---|---|
| Molecular Weight | 291.07 g/mol |
| LogP | 2.7043 |
| Topological Polar Surface Area | 38.77 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 291.06622 |
| Heavy Atoms | 20 |
| Complexity | 617.7898 |
Chemical Identifiers
| CAS Number | 1164488-71-4 |
|---|---|
| SMILES | C1CN\2CCC1C(=O)/C2=C\C3=CC4=C(C=C3Cl)OCO4 |
Product Overview
2-[(6-Chloro-1,3-benzodioxol-5-yl)methylene]quinuclidin-3-one (CAS 1164488-71-4), with molecular formula C15H14ClNO3 and molecular weight 291.07 g/mol. IUPAC: (2E)-2-[(6-chloro-1,3-benzodioxol-5-yl)methylidene]-1-azabicyclo[2.2.2]octan-3-one.
Chemical Property Profile of 2-[(6-Chloro-1,3-benzodioxol-5-yl)methylene]quinuclidin-3-one
Property Insights of 2-[(6-Chloro-1,3-benzodioxol-5-yl)methylene]quinuclidin-3-one
The XLogP value of 2.7043 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[(6-Chloro-1,3-benzodioxol-5-yl)methylene]quinuclidin-3-one. With a topological polar surface area (TPSA) of 38.77 Ų, 2-[(6-Chloro-1,3-benzodioxol-5-yl)methylene]quinuclidin-3-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-[(6-Chloro-1,3-benzodioxol-5-yl)methylene]quinuclidin-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-[(6-Chloro-1,3-benzodioxol-5-yl)methylene]quinuclidin-3-one?
The CAS number of 2-[(6-Chloro-1,3-benzodioxol-5-yl)methylene]quinuclidin-3-one is 1164488-71-4.
What is the molecular formula of 2-[(6-Chloro-1,3-benzodioxol-5-yl)methylene]quinuclidin-3-one?
The molecular formula of 2-[(6-Chloro-1,3-benzodioxol-5-yl)methylene]quinuclidin-3-one is C15H14ClNO3.
What is the molecular weight of 2-[(6-Chloro-1,3-benzodioxol-5-yl)methylene]quinuclidin-3-one?
The molecular weight of 2-[(6-Chloro-1,3-benzodioxol-5-yl)methylene]quinuclidin-3-one is 291.07 g/mol.
Where can I buy 2-[(6-Chloro-1,3-benzodioxol-5-yl)methylene]quinuclidin-3-one?
You can request a quote for 2-[(6-Chloro-1,3-benzodioxol-5-yl)methylene]quinuclidin-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-[(6-Chloro-1,3-benzodioxol-5-yl)methylene]quinuclidin-3-one?
Yes, KEHONG BIO provides custom synthesis services for 2-[(6-Chloro-1,3-benzodioxol-5-yl)methylene]quinuclidin-3-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.