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3-Ethyl-1-azabicyclo[2.2.2]oct-2-ene
TL;DR: 3-Ethyl-1-azabicyclo[2.2.2]oct-2-ene (CAS 40477-78-9) is a chemical compound with molecular formula C9H15N and molecular weight 137.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-ethyl-1-azabicyclo[2.2.2]oct-2-ene
Also Known As: 3-ethyl-1-azabicyclo[2.2.2]oct-2-ene, 1-azabicyclo[2.2.2]oct-2-ene, 3-ethyl-, 3-ethyl-1-aza-bicyclo[2.2.2]oct-2-ene, InChI=1/C9H15N/c1-2-8-7-10-5-3-9(8)4-6-10/h7,9H,2-6H2,1H
| Molecular Formula | C9H15N |
|---|---|
| Molecular Weight | 137.12 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 3.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 137.12045 |
| Heavy Atoms | 10 |
| Complexity | 152.0 |
Chemical Identifiers
| CAS Number | 40477-78-9 |
|---|---|
| SMILES | CCC1=CN2CCC1CC2 |
| InChIKey | XJLGIGNFRLPRMS-UHFFFAOYSA-N |
Product Overview
3-Ethyl-1-azabicyclo[2.2.2]oct-2-ene (CAS 40477-78-9), with molecular formula C9H15N and molecular weight 137.12 g/mol. IUPAC: 3-ethyl-1-azabicyclo[2.2.2]oct-2-ene.
Chemical Property Profile of 3-Ethyl-1-azabicyclo[2.2.2]oct-2-ene
Property Insights of 3-Ethyl-1-azabicyclo[2.2.2]oct-2-ene
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Ethyl-1-azabicyclo[2.2.2]oct-2-ene. With a topological polar surface area (TPSA) of 3.2 Ų, 3-Ethyl-1-azabicyclo[2.2.2]oct-2-ene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Ethyl-1-azabicyclo[2.2.2]oct-2-ene 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-Ethyl-1-azabicyclo[2.2.2]oct-2-ene?
The CAS number of 3-Ethyl-1-azabicyclo[2.2.2]oct-2-ene is 40477-78-9.
What is the molecular formula of 3-Ethyl-1-azabicyclo[2.2.2]oct-2-ene?
The molecular formula of 3-Ethyl-1-azabicyclo[2.2.2]oct-2-ene is C9H15N.
What is the molecular weight of 3-Ethyl-1-azabicyclo[2.2.2]oct-2-ene?
The molecular weight of 3-Ethyl-1-azabicyclo[2.2.2]oct-2-ene is 137.12 g/mol.
Where can I buy 3-Ethyl-1-azabicyclo[2.2.2]oct-2-ene?
You can request a quote for 3-Ethyl-1-azabicyclo[2.2.2]oct-2-ene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Ethyl-1-azabicyclo[2.2.2]oct-2-ene?
Yes, KEHONG BIO provides custom synthesis services for 3-Ethyl-1-azabicyclo[2.2.2]oct-2-ene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.