![Bicyclo[2.2.1]hept-2-yl 4-nitrobenzoate structure](/static/products/1047/104761-73-1.webp)
Bicyclo[2.2.1]hept-2-yl 4-nitrobenzoate
TL;DR: Bicyclo[2.2.1]hept-2-yl 4-nitrobenzoate (CAS 104761-73-1) is a chemical compound with molecular formula C14H15NO4 and molecular weight 261.1001 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-bicyclo[2.2.1]heptanyl 4-nitrobenzoate
Also Known As: 2-norbornyl p-nitrobenzoate, bicyclo[2.2.1]hept-2-yl 4-nitrobenzoate, 3-bicyclo[2.2.1]heptanyl 4-nitrobenzoate, (+-)-4-Nitro-benzoesaeure-[2endo]norbornylester, BICYCLO[2.2.1]HEPTAN-2-YL 4-NITROBENZOATE
Technical Specifications
| Molecular Formula | C14H15NO4 |
| Molecular Weight | 261.1001 g/mol |
| XLogP | 3.3 |
| Topological Polar Surface Area (TPSA) | 72.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 261.1001 Da |
| Heavy Atoms | 19 |
| Complexity | 370.0 |
| SMILES | C1CC2CC1CC2OC(=O)C3=CC=C(C=C3)[N+](=O)[O-] |
| InChIKey | RLVNNIKQWLZQKH-UHFFFAOYSA-N |
Chemical Property Profile of Bicyclo[2.2.1]hept-2-yl 4-nitrobenzoate
Property Insights of Bicyclo[2.2.1]hept-2-yl 4-nitrobenzoate
The XLogP value of 3.3 indicates that Bicyclo[2.2.1]hept-2-yl 4-nitrobenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Bicyclo[2.2.1]hept-2-yl 4-nitrobenzoate. Following Lipinski's Rule of Five, Bicyclo[2.2.1]hept-2-yl 4-nitrobenzoate 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 Bicyclo[2.2.1]hept-2-yl 4-nitrobenzoate?
The CAS number of Bicyclo[2.2.1]hept-2-yl 4-nitrobenzoate is 104761-73-1.
What is the molecular formula of Bicyclo[2.2.1]hept-2-yl 4-nitrobenzoate?
The molecular formula of Bicyclo[2.2.1]hept-2-yl 4-nitrobenzoate is C14H15NO4.
What is the molecular weight of Bicyclo[2.2.1]hept-2-yl 4-nitrobenzoate?
The molecular weight of Bicyclo[2.2.1]hept-2-yl 4-nitrobenzoate is 261.1001 g/mol.
Where can I buy Bicyclo[2.2.1]hept-2-yl 4-nitrobenzoate?
You can request a quote for Bicyclo[2.2.1]hept-2-yl 4-nitrobenzoate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Bicyclo[2.2.1]hept-2-yl 4-nitrobenzoate?
Yes, CoreyChem provides custom synthesis services for Bicyclo[2.2.1]hept-2-yl 4-nitrobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.