3,8-Diazabicyclo(3.2.1)octane, 8-ethoxydicarbonyl-3-methyl-
TL;DR: 3,8-Diazabicyclo(3.2.1)octane, 8-ethoxydicarbonyl-3-methyl- (CAS 63977-71-9) is a chemical compound with molecular formula C11H18N2O3 and molecular weight 226.13174 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl 2-(3-methyl-3,8-diazabicyclo[3.2.1]octan-8-yl)-2-oxoacetate
Also Known As: 8-Ethoxydicarbonyl-3-methyl-3,8-diazabicyclo(3.2.1)octane, 3,8-Diazabicyclo(3.2.1)octane, 8-ethoxydicarbonyl-3-methyl-, alpha-Oxo-3-methyl-3,8-diazabicyclo[3.2.1]octane-8-acetic acid ethyl ester, ethyl(3-methyl-3,8-diazabicyclo[3.2.1]oct-8-yl)(oxo)acetate, Ethyl (3-methyl-3,8-diazabicyclo[3.2.1]octan-8-yl)(oxo)acetate
Technical Specifications
| Molecular Formula | C11H18N2O3 |
| Molecular Weight | 226.13174 g/mol |
| XLogP | 0.8 |
| Topological Polar Surface Area (TPSA) | 49.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 226.13174 Da |
| Heavy Atoms | 16 |
| Complexity | 292.0 |
| SMILES | CCOC(=O)C(=O)N1C2CCC1CN(C2)C |
| InChIKey | RYGZSUPPVFZSGX-UHFFFAOYSA-N |
Chemical Property Profile of 3,8-Diazabicyclo(3.2.1)octane, 8-ethoxydicarbonyl-3-methyl-
Property Insights of 3,8-Diazabicyclo(3.2.1)octane, 8-ethoxydicarbonyl-3-methyl-
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,8-Diazabicyclo(3.2.1)octane, 8-ethoxydicarbonyl-3-methyl-. With a topological polar surface area (TPSA) of 49.9 Ų, 3,8-Diazabicyclo(3.2.1)octane, 8-ethoxydicarbonyl-3-methyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,8-Diazabicyclo(3.2.1)octane, 8-ethoxydicarbonyl-3-methyl- has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 3,8-Diazabicyclo(3.2.1)octane, 8-ethoxydicarbonyl-3-methyl-?
The CAS number of 3,8-Diazabicyclo(3.2.1)octane, 8-ethoxydicarbonyl-3-methyl- is 63977-71-9.
What is the molecular formula of 3,8-Diazabicyclo(3.2.1)octane, 8-ethoxydicarbonyl-3-methyl-?
The molecular formula of 3,8-Diazabicyclo(3.2.1)octane, 8-ethoxydicarbonyl-3-methyl- is C11H18N2O3.
What is the molecular weight of 3,8-Diazabicyclo(3.2.1)octane, 8-ethoxydicarbonyl-3-methyl-?
The molecular weight of 3,8-Diazabicyclo(3.2.1)octane, 8-ethoxydicarbonyl-3-methyl- is 226.13174 g/mol.
Where can I buy 3,8-Diazabicyclo(3.2.1)octane, 8-ethoxydicarbonyl-3-methyl-?
You can request a quote for 3,8-Diazabicyclo(3.2.1)octane, 8-ethoxydicarbonyl-3-methyl- directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3,8-Diazabicyclo(3.2.1)octane, 8-ethoxydicarbonyl-3-methyl-?
Yes, CoreyChem provides custom synthesis services for 3,8-Diazabicyclo(3.2.1)octane, 8-ethoxydicarbonyl-3-methyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.