![4-Ethynyl-1-azabicyclo[2.2.2]octane structure](/static/products/5254/52547-86-1.webp)
4-Ethynyl-1-azabicyclo[2.2.2]octane
TL;DR: 4-Ethynyl-1-azabicyclo[2.2.2]octane (CAS 52547-86-1) is a chemical compound with molecular formula C9H13N and molecular weight 135.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-ethynyl-1-azabicyclo[2.2.2]octane
Also Known As: 4-Ethynylquinuclidine, 4-ethynyl-1-azabicyclo[2.2.2]octane, 1-Azabicyclo(2.2.2)octane, 4-ethynyl-, 1-Azabicyclo[2.2.2]octane,4-ethynyl-, J1.815.022K
| Molecular Formula | C9H13N |
|---|---|
| Molecular Weight | 135.10 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 3.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 135.1048 |
| Heavy Atoms | 10 |
| Complexity | 164.0 |
Chemical Identifiers
| CAS Number | 52547-86-1 |
|---|---|
| SMILES | C#CC12CCN(CC1)CC2 |
| InChIKey | YNWQRSDBDBXZIQ-UHFFFAOYSA-N |
Product Overview
4-Ethynyl-1-azabicyclo[2.2.2]octane (CAS 52547-86-1), with molecular formula C9H13N and molecular weight 135.10 g/mol. IUPAC: 4-ethynyl-1-azabicyclo[2.2.2]octane.
Chemical Property Profile of 4-Ethynyl-1-azabicyclo[2.2.2]octane
Property Insights of 4-Ethynyl-1-azabicyclo[2.2.2]octane
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Ethynyl-1-azabicyclo[2.2.2]octane. With a topological polar surface area (TPSA) of 3.2 Ų, 4-Ethynyl-1-azabicyclo[2.2.2]octane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Ethynyl-1-azabicyclo[2.2.2]octane 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 4-Ethynyl-1-azabicyclo[2.2.2]octane?
The CAS number of 4-Ethynyl-1-azabicyclo[2.2.2]octane is 52547-86-1.
What is the molecular formula of 4-Ethynyl-1-azabicyclo[2.2.2]octane?
The molecular formula of 4-Ethynyl-1-azabicyclo[2.2.2]octane is C9H13N.
What is the molecular weight of 4-Ethynyl-1-azabicyclo[2.2.2]octane?
The molecular weight of 4-Ethynyl-1-azabicyclo[2.2.2]octane is 135.10 g/mol.
Where can I buy 4-Ethynyl-1-azabicyclo[2.2.2]octane?
You can request a quote for 4-Ethynyl-1-azabicyclo[2.2.2]octane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Ethynyl-1-azabicyclo[2.2.2]octane?
Yes, KEHONG BIO provides custom synthesis services for 4-Ethynyl-1-azabicyclo[2.2.2]octane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.