3-Methylenequinuclidine
TL;DR: 3-Methylenequinuclidine (CAS 22207-84-7) is a chemical compound with molecular formula C8H13N and molecular weight 123.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methylidene-1-azabicyclo[2.2.2]octane
Also Known As: 3-methylenequinuclidine, 3-Methylen-chinuclidin, 3-methylene quinuclidine, 1-Azabicyclo(2.2.2)octane, 3-methylene-, 3-methylidene-1-azabicyclo[2.2.2]octane
| Molecular Formula | C8H13N |
|---|---|
| Molecular Weight | 123.10 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 3.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 123.1048 |
| Heavy Atoms | 9 |
| Complexity | 132.0 |
Chemical Identifiers
| CAS Number | 22207-84-7 |
|---|---|
| SMILES | C=C1CN2CCC1CC2 |
| InChIKey | LWKDQGSBGMZMNO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Methylenequinuclidine (CAS 22207-84-7), with molecular formula C8H13N and molecular weight 123.10 g/mol. IUPAC: 3-methylidene-1-azabicyclo[2.2.2]octane.
Chemical Property Profile of 3-Methylenequinuclidine
Property Insights of 3-Methylenequinuclidine
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Methylenequinuclidine. With a topological polar surface area (TPSA) of 3.2 Ų, 3-Methylenequinuclidine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Methylenequinuclidine has 0 hydrogen bond donor(s) and 1 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 3-Methylenequinuclidine?
The CAS number of 3-Methylenequinuclidine is 22207-84-7.
What is the molecular formula of 3-Methylenequinuclidine?
The molecular formula of 3-Methylenequinuclidine is C8H13N.
What is the molecular weight of 3-Methylenequinuclidine?
The molecular weight of 3-Methylenequinuclidine is 123.10 g/mol.
Where can I buy 3-Methylenequinuclidine?
You can request a quote for 3-Methylenequinuclidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Methylenequinuclidine?
Yes, KEHONG BIO provides custom synthesis services for 3-Methylenequinuclidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.