![Tert-butyl 2-acetyl-9-azabicyclo[4.2.1]nonane-9-carboxylate structure](/static/products/1120/112020-12-9.webp)
Tert-butyl 2-acetyl-9-azabicyclo[4.2.1]nonane-9-carboxylate
TL;DR: Tert-butyl 2-acetyl-9-azabicyclo[4.2.1]nonane-9-carboxylate (CAS 112020-12-9) is a chemical compound with molecular formula C15H25NO3 and molecular weight 267.18344 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
tert-butyl 2-acetyl-9-azabicyclo[4.2.1]nonane-9-carboxylate
Also Known As: Tert-butyl 2-acetyl-9-azabicyclo[4.2.1]nonane-9-carboxylate, tert-Butyl 2-acetyl-9-azabicyclo(4.2.1)nonane-9-carboxylate, tert-butyl 5-acetyl-9-azabicyclo[4.2.1]nonane-9-carboxylate, 9-Azabicyclo(4.2.1)nonane-9-carboxylic acid, tert-butyl 2-acetyl-, 9-Azabicyclo(4.2.1)nonane-9-carboxylic acid,tert-butyl 2-acetyl
Technical Specifications
| Molecular Formula | C15H25NO3 |
| Molecular Weight | 267.18344 g/mol |
| XLogP | 2.3 |
| Topological Polar Surface Area (TPSA) | 46.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 267.18344 Da |
| Heavy Atoms | 19 |
| Complexity | 372.0 |
| SMILES | CC(=O)C1CCCC2CCC1N2C(=O)OC(C)(C)C |
| InChIKey | PGFLUYRHRVQZEV-UHFFFAOYSA-N |
Chemical Property Profile of Tert-butyl 2-acetyl-9-azabicyclo[4.2.1]nonane-9-carboxylate
Property Insights of Tert-butyl 2-acetyl-9-azabicyclo[4.2.1]nonane-9-carboxylate
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Tert-butyl 2-acetyl-9-azabicyclo[4.2.1]nonane-9-carboxylate. With a topological polar surface area (TPSA) of 46.6 Ų, Tert-butyl 2-acetyl-9-azabicyclo[4.2.1]nonane-9-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Tert-butyl 2-acetyl-9-azabicyclo[4.2.1]nonane-9-carboxylate has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Tert-butyl 2-acetyl-9-azabicyclo[4.2.1]nonane-9-carboxylate?
The CAS number of Tert-butyl 2-acetyl-9-azabicyclo[4.2.1]nonane-9-carboxylate is 112020-12-9.
What is the molecular formula of Tert-butyl 2-acetyl-9-azabicyclo[4.2.1]nonane-9-carboxylate?
The molecular formula of Tert-butyl 2-acetyl-9-azabicyclo[4.2.1]nonane-9-carboxylate is C15H25NO3.
What is the molecular weight of Tert-butyl 2-acetyl-9-azabicyclo[4.2.1]nonane-9-carboxylate?
The molecular weight of Tert-butyl 2-acetyl-9-azabicyclo[4.2.1]nonane-9-carboxylate is 267.18344 g/mol.
Where can I buy Tert-butyl 2-acetyl-9-azabicyclo[4.2.1]nonane-9-carboxylate?
You can request a quote for Tert-butyl 2-acetyl-9-azabicyclo[4.2.1]nonane-9-carboxylate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Tert-butyl 2-acetyl-9-azabicyclo[4.2.1]nonane-9-carboxylate?
Yes, CoreyChem provides custom synthesis services for Tert-butyl 2-acetyl-9-azabicyclo[4.2.1]nonane-9-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.