9-Azabicyclo(4.2.1)nonane-9-carboxylic acid, 2-acetyl-, 1,1-dimethylethyl ester, exo-
TL;DR: 9-Azabicyclo(4.2.1)nonane-9-carboxylic acid, 2-acetyl-, 1,1-dimethylethyl ester, exo- (CAS 112020-13-0) 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 (1R,2S,6R)-2-acetyl-9-azabicyclo[4.2.1]nonane-9-carboxylate
Also Known As: 9-Azabicyclo(4.2.1)nonane-9-carboxylic acid, 2-acetyl-, 1,1-dimethylethyl ester, exo-, Tert-butyl 2-acetyl-9-azabicyclo[4.2.1]nonane-9-carboxylate, tert-butyl (1R,5S,6R)-5-acetyl-9-azabicyclo[4.2.1]nonane-9-carboxylate
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)[C@H]1CCC[C@@H]2CC[C@H]1N2C(=O)OC(C)(C)C |
| InChIKey | PGFLUYRHRVQZEV-JHJVBQTASA-N |
Chemical Property Profile of 9-Azabicyclo(4.2.1)nonane-9-carboxylic acid, 2-acetyl-, 1,1-dimethylethyl ester, exo-
Property Insights of 9-Azabicyclo(4.2.1)nonane-9-carboxylic acid, 2-acetyl-, 1,1-dimethylethyl ester, exo-
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 9-Azabicyclo(4.2.1)nonane-9-carboxylic acid, 2-acetyl-, 1,1-dimethylethyl ester, exo-. With a topological polar surface area (TPSA) of 46.6 Ų, 9-Azabicyclo(4.2.1)nonane-9-carboxylic acid, 2-acetyl-, 1,1-dimethylethyl ester, exo- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 9-Azabicyclo(4.2.1)nonane-9-carboxylic acid, 2-acetyl-, 1,1-dimethylethyl ester, exo- 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 9-Azabicyclo(4.2.1)nonane-9-carboxylic acid, 2-acetyl-, 1,1-dimethylethyl ester, exo-?
The CAS number of 9-Azabicyclo(4.2.1)nonane-9-carboxylic acid, 2-acetyl-, 1,1-dimethylethyl ester, exo- is 112020-13-0.
What is the molecular formula of 9-Azabicyclo(4.2.1)nonane-9-carboxylic acid, 2-acetyl-, 1,1-dimethylethyl ester, exo-?
The molecular formula of 9-Azabicyclo(4.2.1)nonane-9-carboxylic acid, 2-acetyl-, 1,1-dimethylethyl ester, exo- is C15H25NO3.
What is the molecular weight of 9-Azabicyclo(4.2.1)nonane-9-carboxylic acid, 2-acetyl-, 1,1-dimethylethyl ester, exo-?
The molecular weight of 9-Azabicyclo(4.2.1)nonane-9-carboxylic acid, 2-acetyl-, 1,1-dimethylethyl ester, exo- is 267.18344 g/mol.
Where can I buy 9-Azabicyclo(4.2.1)nonane-9-carboxylic acid, 2-acetyl-, 1,1-dimethylethyl ester, exo-?
You can request a quote for 9-Azabicyclo(4.2.1)nonane-9-carboxylic acid, 2-acetyl-, 1,1-dimethylethyl ester, exo- directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 9-Azabicyclo(4.2.1)nonane-9-carboxylic acid, 2-acetyl-, 1,1-dimethylethyl ester, exo-?
Yes, CoreyChem provides custom synthesis services for 9-Azabicyclo(4.2.1)nonane-9-carboxylic acid, 2-acetyl-, 1,1-dimethylethyl ester, exo- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.