![2-[(Z)-1,3-benzodioxol-5-ylmethylidene]-3-quinuclidinone structure](/static/products/944/944443-33-8.png)
2-[(Z)-1,3-benzodioxol-5-ylmethylidene]-3-quinuclidinone
TL;DR: 2-[(Z)-1,3-benzodioxol-5-ylmethylidene]-3-quinuclidinone (CAS 944443-33-8) is a chemical compound with molecular formula C15H15NO3 and molecular weight 257.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2Z)-2-(1,3-benzodioxol-5-ylmethylidene)-1-azabicyclo[2.2.2]octan-3-one
Also Known As: (2Z)-2-[(2H-1,3-benzodioxol-5-yl)methylidene]-1-azabicyclo[2.2.2]octan-3-one, 2-[(Z)-1,3-benzodioxol-5-ylmethylidene]-3-quinuclidinone, 2-(1,3-benzodioxol-5-ylmethylene)quinuclidin-3-one, (Z)-2-(benzo[d][1,3]dioxol-5-ylmethylene)quinuclidin-3-one, (2Z)-2-(1,3-benzodioxol-5-ylmethylidene)-1-azabicyclo[2.2.2]octan-3-one
| Molecular Formula | C15H15NO3 |
|---|---|
| Molecular Weight | 257.11 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 38.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 257.1052 |
| Heavy Atoms | 19 |
| Complexity | 412.0 |
Chemical Identifiers
| CAS Number | 944443-33-8 |
|---|---|
| SMILES | C1CN\2CCC1C(=O)/C2=C/C3=CC4=C(C=C3)OCO4 |
| InChIKey | NGNUATHUAAONSD-GHXNOFRVSA-N |
Product Overview
2-[(Z)-1,3-benzodioxol-5-ylmethylidene]-3-quinuclidinone (CAS 944443-33-8), with molecular formula C15H15NO3 and molecular weight 257.11 g/mol. IUPAC: (2Z)-2-(1,3-benzodioxol-5-ylmethylidene)-1-azabicyclo[2.2.2]octan-3-one.
Chemical Property Profile of 2-[(Z)-1,3-benzodioxol-5-ylmethylidene]-3-quinuclidinone
Property Insights of 2-[(Z)-1,3-benzodioxol-5-ylmethylidene]-3-quinuclidinone
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[(Z)-1,3-benzodioxol-5-ylmethylidene]-3-quinuclidinone. With a topological polar surface area (TPSA) of 38.8 Ų, 2-[(Z)-1,3-benzodioxol-5-ylmethylidene]-3-quinuclidinone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-[(Z)-1,3-benzodioxol-5-ylmethylidene]-3-quinuclidinone 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-[(Z)-1,3-benzodioxol-5-ylmethylidene]-3-quinuclidinone?
The CAS number of 2-[(Z)-1,3-benzodioxol-5-ylmethylidene]-3-quinuclidinone is 944443-33-8.
What is the molecular formula of 2-[(Z)-1,3-benzodioxol-5-ylmethylidene]-3-quinuclidinone?
The molecular formula of 2-[(Z)-1,3-benzodioxol-5-ylmethylidene]-3-quinuclidinone is C15H15NO3.
What is the molecular weight of 2-[(Z)-1,3-benzodioxol-5-ylmethylidene]-3-quinuclidinone?
The molecular weight of 2-[(Z)-1,3-benzodioxol-5-ylmethylidene]-3-quinuclidinone is 257.11 g/mol.
Where can I buy 2-[(Z)-1,3-benzodioxol-5-ylmethylidene]-3-quinuclidinone?
You can request a quote for 2-[(Z)-1,3-benzodioxol-5-ylmethylidene]-3-quinuclidinone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[(Z)-1,3-benzodioxol-5-ylmethylidene]-3-quinuclidinone?
Yes, KEHONG BIO provides custom synthesis services for 2-[(Z)-1,3-benzodioxol-5-ylmethylidene]-3-quinuclidinone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.