2-Methylene-3-quinuclidone
TL;DR: 2-Methylene-3-quinuclidone (CAS 5832-54-2) is a chemical compound with molecular formula C8H11NO and molecular weight 137.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methylidene-1-azabicyclo[2.2.2]octan-3-one
Also Known As: 2-methylenequinuclidin-3-one, methylene quinuclidinone, 2-Methylene-3-quinuclidone, 2-methylidene-1-azabicyclo[2.2.2]octan-3-one, 2-Methylene-3-quinuclidinone
| Molecular Formula | C8H11NO |
|---|---|
| Molecular Weight | 137.08 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 20.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 137.08406 |
| Heavy Atoms | 10 |
| Complexity | 189.0 |
Chemical Identifiers
| CAS Number | 5832-54-2 |
|---|---|
| SMILES | C=C1C(=O)C2CCN1CC2 |
| InChIKey | NHPWIWAGVOXDPU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Methylene-3-quinuclidone (CAS 5832-54-2), with molecular formula C8H11NO and molecular weight 137.08 g/mol. IUPAC: 2-methylidene-1-azabicyclo[2.2.2]octan-3-one.
Chemical Property Profile of 2-Methylene-3-quinuclidone
Property Insights of 2-Methylene-3-quinuclidone
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Methylene-3-quinuclidone. With a topological polar surface area (TPSA) of 20.3 Ų, 2-Methylene-3-quinuclidone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Methylene-3-quinuclidone has 0 hydrogen bond donor(s) and 2 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-Methylene-3-quinuclidone?
The CAS number of 2-Methylene-3-quinuclidone is 5832-54-2.
What is the molecular formula of 2-Methylene-3-quinuclidone?
The molecular formula of 2-Methylene-3-quinuclidone is C8H11NO.
What is the molecular weight of 2-Methylene-3-quinuclidone?
The molecular weight of 2-Methylene-3-quinuclidone is 137.08 g/mol.
Where can I buy 2-Methylene-3-quinuclidone?
You can request a quote for 2-Methylene-3-quinuclidone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Methylene-3-quinuclidone?
Yes, KEHONG BIO provides custom synthesis services for 2-Methylene-3-quinuclidone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.