TL;DR: [2-(4-Acetylanilino)-2-oxoethyl] 2-(2-bicyclo[2.2.1]heptanyl)acetate (CAS 1005085-18-6) is a chemical compound with molecular formula C19H23NO4 and molecular weight 329.16272 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[2-(4-acetylanilino)-2-oxoethyl] 2-(2-bicyclo[2.2.1]heptanyl)acetate
Also Known As: AB00713965-01, [2-(4-acetylanilino)-2-oxoethyl] 2-(2-bicyclo[2.2.1]heptanyl)acetate, [2-(4-acetylanilino)-2-oxoethyl] 2-(3-bicyclo[2.2.1]heptanyl)acetate
| Molecular Formula | C19H23NO4 |
| Molecular Weight | 329.16272 g/mol |
| XLogP | 3.1 |
| Topological Polar Surface Area (TPSA) | 72.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 329.16272 Da |
| Heavy Atoms | 24 |
| Complexity | 496.0 |
| SMILES | CC(=O)C1=CC=C(C=C1)NC(=O)COC(=O)CC2CC3CCC2C3 |
| InChIKey | DIGGMOPFOJIQPU-UHFFFAOYSA-N |
The XLogP value of 3.1 indicates that [2-(4-Acetylanilino)-2-oxoethyl] 2-(2-bicyclo[2.2.1]heptanyl)acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.5 Ų falls within the moderate polarity range, balancing permeability and solubility for [2-(4-Acetylanilino)-2-oxoethyl] 2-(2-bicyclo[2.2.1]heptanyl)acetate. Following Lipinski's Rule of Five, [2-(4-Acetylanilino)-2-oxoethyl] 2-(2-bicyclo[2.2.1]heptanyl)acetate has 1 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-(4-Acetylanilino)-2-oxoethyl] 2-(2-bicyclo[2.2.1]heptanyl)acetate is 1005085-18-6.
The molecular formula of [2-(4-Acetylanilino)-2-oxoethyl] 2-(2-bicyclo[2.2.1]heptanyl)acetate is C19H23NO4.
The molecular weight of [2-(4-Acetylanilino)-2-oxoethyl] 2-(2-bicyclo[2.2.1]heptanyl)acetate is 329.16272 g/mol.
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