![1,1-Dimethylethyl 2-azabicyclo[2.2.2]octane-2-carboxylate structure](/static/products/620/620948-97-2.png)
1,1-Dimethylethyl 2-azabicyclo[2.2.2]octane-2-carboxylate
TL;DR: 1,1-Dimethylethyl 2-azabicyclo[2.2.2]octane-2-carboxylate (CAS 620948-97-2) is a chemical compound with molecular formula C12H21NO2 and molecular weight 211.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tert-butyl 2-azabicyclo[2.2.2]octane-2-carboxylate
Also Known As: 1,1-Dimethylethyl 2-azabicyclo[2.2.2]octane-2-carboxylate, tert-Butyl 2-azabicyclo[2.2.2]octane-2-carboxylate, Tert-butyl 3-azabicyclo[2.2.2]octane-3-carboxylate
| Molecular Formula | C12H21NO2 |
|---|---|
| Molecular Weight | 211.16 g/mol |
| LogP | 2.7959 |
| Topological Polar Surface Area | 29.54 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 211.15723 |
| Heavy Atoms | 15 |
| Complexity | 248.83795 |
Chemical Identifiers
| CAS Number | 620948-97-2 |
|---|---|
| SMILES | CC(C)(C)OC(=O)N1CC2CCC1CC2 |
Product Overview
1,1-Dimethylethyl 2-azabicyclo[2.2.2]octane-2-carboxylate (CAS 620948-97-2), with molecular formula C12H21NO2 and molecular weight 211.16 g/mol. IUPAC: tert-butyl 2-azabicyclo[2.2.2]octane-2-carboxylate.
Chemical Property Profile of 1,1-Dimethylethyl 2-azabicyclo[2.2.2]octane-2-carboxylate
Property Insights of 1,1-Dimethylethyl 2-azabicyclo[2.2.2]octane-2-carboxylate
The XLogP value of 2.7959 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,1-Dimethylethyl 2-azabicyclo[2.2.2]octane-2-carboxylate. With a topological polar surface area (TPSA) of 29.54 Ų, 1,1-Dimethylethyl 2-azabicyclo[2.2.2]octane-2-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,1-Dimethylethyl 2-azabicyclo[2.2.2]octane-2-carboxylate 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 1,1-Dimethylethyl 2-azabicyclo[2.2.2]octane-2-carboxylate?
The CAS number of 1,1-Dimethylethyl 2-azabicyclo[2.2.2]octane-2-carboxylate is 620948-97-2.
What is the molecular formula of 1,1-Dimethylethyl 2-azabicyclo[2.2.2]octane-2-carboxylate?
The molecular formula of 1,1-Dimethylethyl 2-azabicyclo[2.2.2]octane-2-carboxylate is C12H21NO2.
What is the molecular weight of 1,1-Dimethylethyl 2-azabicyclo[2.2.2]octane-2-carboxylate?
The molecular weight of 1,1-Dimethylethyl 2-azabicyclo[2.2.2]octane-2-carboxylate is 211.16 g/mol.
Where can I buy 1,1-Dimethylethyl 2-azabicyclo[2.2.2]octane-2-carboxylate?
You can request a quote for 1,1-Dimethylethyl 2-azabicyclo[2.2.2]octane-2-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,1-Dimethylethyl 2-azabicyclo[2.2.2]octane-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for 1,1-Dimethylethyl 2-azabicyclo[2.2.2]octane-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.