![8-Methyl-8-azabicyclo[3.2.1]oct-3-yl 4-nitrobenzoate structure](/static/products/108/1083040-52-1.png)
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 290.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(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
| Molecular Formula | C15H18N2O4 |
|---|---|
| Molecular Weight | 290.13 g/mol |
| LogP | 2.3768 |
| Topological Polar Surface Area | 72.68 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 290.12665 |
| Heavy Atoms | 21 |
| Complexity | 543.297 |
Chemical Identifiers
| CAS Number | 1083040-52-1 |
|---|---|
| SMILES | CN1C2CCC1CC(C2)OC(=O)C3=CC=C(C=C3)[N+](=O)[O-] |
Product Overview
8-Methyl-8-azabicyclo[3.2.1]oct-3-yl 4-nitrobenzoate (CAS 1083040-52-1), with molecular formula C15H18N2O4 and molecular weight 290.13 g/mol. IUPAC: (8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 4-nitrobenzoate.
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 2.3768 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 72.68 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
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 290.13 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 KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 8-Methyl-8-azabicyclo[3.2.1]oct-3-yl 4-nitrobenzoate?
Yes, KEHONG BIO 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.