![3-[2-(3,4-Dimethoxyphenyl)ethylamino]-1-azabicyclo[2.2.2]octane-3-carbonitrile structure](/static/products/893/893770-68-8.png)
3-[2-(3,4-Dimethoxyphenyl)ethylamino]-1-azabicyclo[2.2.2]octane-3-carbonitrile
TL;DR: 3-[2-(3,4-Dimethoxyphenyl)ethylamino]-1-azabicyclo[2.2.2]octane-3-carbonitrile (CAS 893770-68-8) is a chemical compound with molecular formula C18H25N3O2 and molecular weight 315.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[2-(3,4-dimethoxyphenyl)ethylamino]-1-azabicyclo[2.2.2]octane-3-carbonitrile
Also Known As: A4087/0174246, 3-[(3,4-Dimethoxyphenethyl)amino]quinuclidine-3-carbonitrile, 3-[2-(3,4-dimethoxyphenyl)ethylamino]-1-azabicyclo[2.2.2]octane-3-carbonitrile, 3-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-1-azabicyclo[2.2.2]octane-3-carbonitrile, 3-{[2-(3,4-dimethoxyphenyl)ethyl]amino}quinuclidine-3-carbonitrile
| Molecular Formula | C18H25N3O2 |
|---|---|
| Molecular Weight | 315.19 g/mol |
| LogP | 1.82388 |
| Topological Polar Surface Area | 57.52 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 315.19467 |
| Heavy Atoms | 23 |
| Complexity | 590.41974 |
Chemical Identifiers
| CAS Number | 893770-68-8 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)CCNC2(CN3CCC2CC3)C#N)OC |
Product Overview
3-[2-(3,4-Dimethoxyphenyl)ethylamino]-1-azabicyclo[2.2.2]octane-3-carbonitrile (CAS 893770-68-8), with molecular formula C18H25N3O2 and molecular weight 315.19 g/mol. IUPAC: 3-[2-(3,4-dimethoxyphenyl)ethylamino]-1-azabicyclo[2.2.2]octane-3-carbonitrile.
Chemical Property Profile of 3-[2-(3,4-Dimethoxyphenyl)ethylamino]-1-azabicyclo[2.2.2]octane-3-carbonitrile
Property Insights of 3-[2-(3,4-Dimethoxyphenyl)ethylamino]-1-azabicyclo[2.2.2]octane-3-carbonitrile
The XLogP value of 1.82388 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-[2-(3,4-Dimethoxyphenyl)ethylamino]-1-azabicyclo[2.2.2]octane-3-carbonitrile. With a topological polar surface area (TPSA) of 57.52 Ų, 3-[2-(3,4-Dimethoxyphenyl)ethylamino]-1-azabicyclo[2.2.2]octane-3-carbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-[2-(3,4-Dimethoxyphenyl)ethylamino]-1-azabicyclo[2.2.2]octane-3-carbonitrile has 1 hydrogen bond donor(s) and 5 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-[2-(3,4-Dimethoxyphenyl)ethylamino]-1-azabicyclo[2.2.2]octane-3-carbonitrile?
The CAS number of 3-[2-(3,4-Dimethoxyphenyl)ethylamino]-1-azabicyclo[2.2.2]octane-3-carbonitrile is 893770-68-8.
What is the molecular formula of 3-[2-(3,4-Dimethoxyphenyl)ethylamino]-1-azabicyclo[2.2.2]octane-3-carbonitrile?
The molecular formula of 3-[2-(3,4-Dimethoxyphenyl)ethylamino]-1-azabicyclo[2.2.2]octane-3-carbonitrile is C18H25N3O2.
What is the molecular weight of 3-[2-(3,4-Dimethoxyphenyl)ethylamino]-1-azabicyclo[2.2.2]octane-3-carbonitrile?
The molecular weight of 3-[2-(3,4-Dimethoxyphenyl)ethylamino]-1-azabicyclo[2.2.2]octane-3-carbonitrile is 315.19 g/mol.
Where can I buy 3-[2-(3,4-Dimethoxyphenyl)ethylamino]-1-azabicyclo[2.2.2]octane-3-carbonitrile?
You can request a quote for 3-[2-(3,4-Dimethoxyphenyl)ethylamino]-1-azabicyclo[2.2.2]octane-3-carbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-[2-(3,4-Dimethoxyphenyl)ethylamino]-1-azabicyclo[2.2.2]octane-3-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-[2-(3,4-Dimethoxyphenyl)ethylamino]-1-azabicyclo[2.2.2]octane-3-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.