TL;DR: [2-[1-(2-Bicyclo[2.2.1]heptanyl)ethylamino]-2-oxoethyl] 2-hydroxybenzoate (CAS 1212115-66-6) is a chemical compound with molecular formula C18H23NO4 and molecular weight 317.16272 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[2-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-2-oxoethyl] 2-hydroxybenzoate
Also Known As: [2-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-2-oxoethyl] 2-hydroxybenzoate|[2-[1-(3-bicyclo[2.2.1]heptanyl)ethylamino]-2-oxoethyl] 2-hydroxybenzoate|2-{[1-(Bicyclo[2.2.1]heptan-2-yl)ethyl]amino}-2-oxoethyl 2-hydroxybenzoate|MLS002248572|CHEMBL1893845|SMR001316034|Z19703809
| Molecular Formula | C18H23NO4 |
| Molecular Weight | 317.16272 g/mol |
| XLogP | 4.1 |
| Topological Polar Surface Area (TPSA) | 75.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 317.16272 Da |
| Heavy Atoms | 23 |
| Complexity | 452.0 |
| SMILES | CC(C1CC2CCC1C2)NC(=O)COC(=O)C3=CC=CC=C3O |
| InChIKey | WHIOSCOFBHGYBV-UHFFFAOYSA-N |
The XLogP value of 4.1 indicates that [2-[1-(2-Bicyclo[2.2.1]heptanyl)ethylamino]-2-oxoethyl] 2-hydroxybenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 75.6 Ų falls within the moderate polarity range, balancing permeability and solubility for [2-[1-(2-Bicyclo[2.2.1]heptanyl)ethylamino]-2-oxoethyl] 2-hydroxybenzoate. Following Lipinski's Rule of Five, [2-[1-(2-Bicyclo[2.2.1]heptanyl)ethylamino]-2-oxoethyl] 2-hydroxybenzoate has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of [2-[1-(2-Bicyclo[2.2.1]heptanyl)ethylamino]-2-oxoethyl] 2-hydroxybenzoate is 1212115-66-6.
The molecular formula of [2-[1-(2-Bicyclo[2.2.1]heptanyl)ethylamino]-2-oxoethyl] 2-hydroxybenzoate is C18H23NO4.
The molecular weight of [2-[1-(2-Bicyclo[2.2.1]heptanyl)ethylamino]-2-oxoethyl] 2-hydroxybenzoate is 317.16272 g/mol.
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