![8-Methyl-8-azabicyclo[3.2.1]oct-3-yl 4-nitrobenzoate structure](/static/products/108/1083040-52-1.webp)
8-Methyl-8-azabicyclo[3.2.1]oct-3-yl 4-nitrobenzoate
TL;DR: 8-Methyl-8-azabicyclo[3.2.1]oct-3-yl 4-nitrobenzoate (CAS 1083040-52-1) is a chemical compound with molecular formula C15H18N2O4 and molecular weight 290.12665 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 4-nitrobenzoate
Also Known As: 8-methyl-8-azabicyclo[3.2.1]oct-3-yl 4-nitrobenzoate, AO-801/41077343, (8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 4-nitrobenzoate
Technical Specifications
| Molecular Formula | C15H18N2O4 |
| Molecular Weight | 290.12665 g/mol |
| XLogP | 2.8 |
| Topological Polar Surface Area (TPSA) | 75.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 290.12665 Da |
| Heavy Atoms | 21 |
| Complexity | 400.0 |
| SMILES | CN1C2CCC1CC(C2)OC(=O)C3=CC=C(C=C3)[N+](=O)[O-] |
| InChIKey | CAPVXZJKYMHZKL-UHFFFAOYSA-N |
Chemical Property Profile of 8-Methyl-8-azabicyclo[3.2.1]oct-3-yl 4-nitrobenzoate
Property Insights of 8-Methyl-8-azabicyclo[3.2.1]oct-3-yl 4-nitrobenzoate
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 8-Methyl-8-azabicyclo[3.2.1]oct-3-yl 4-nitrobenzoate. The TPSA of 75.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 8-Methyl-8-azabicyclo[3.2.1]oct-3-yl 4-nitrobenzoate. Following Lipinski's Rule of Five, 8-Methyl-8-azabicyclo[3.2.1]oct-3-yl 4-nitrobenzoate has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 8-Methyl-8-azabicyclo[3.2.1]oct-3-yl 4-nitrobenzoate?
The CAS number of 8-Methyl-8-azabicyclo[3.2.1]oct-3-yl 4-nitrobenzoate is 1083040-52-1.
What is the molecular formula of 8-Methyl-8-azabicyclo[3.2.1]oct-3-yl 4-nitrobenzoate?
The molecular formula of 8-Methyl-8-azabicyclo[3.2.1]oct-3-yl 4-nitrobenzoate is C15H18N2O4.
What is the molecular weight of 8-Methyl-8-azabicyclo[3.2.1]oct-3-yl 4-nitrobenzoate?
The molecular weight of 8-Methyl-8-azabicyclo[3.2.1]oct-3-yl 4-nitrobenzoate is 290.12665 g/mol.
Where can I buy 8-Methyl-8-azabicyclo[3.2.1]oct-3-yl 4-nitrobenzoate?
You can request a quote for 8-Methyl-8-azabicyclo[3.2.1]oct-3-yl 4-nitrobenzoate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 8-Methyl-8-azabicyclo[3.2.1]oct-3-yl 4-nitrobenzoate?
Yes, CoreyChem provides custom synthesis services for 8-Methyl-8-azabicyclo[3.2.1]oct-3-yl 4-nitrobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.