TL;DR: [2-[4-(3-Methylbutanoylamino)phenyl]-2-oxoethyl] cyclobutanecarboxylate (CAS 1004237-68-6) 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-[4-(3-methylbutanoylamino)phenyl]-2-oxoethyl] cyclobutanecarboxylate
Also Known As: [2-[4-(3-methylbutanoylamino)phenyl]-2-oxoethyl] cyclobutanecarboxylate|MLS001149791|CHEMBL1707205|SMR000687961|Z18374128
| Molecular Formula | C18H23NO4 |
| Molecular Weight | 317.16272 g/mol |
| XLogP | 3.0 |
| Topological Polar Surface Area (TPSA) | 72.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 317.16272 Da |
| Heavy Atoms | 23 |
| Complexity | 434.0 |
| SMILES | CC(C)CC(=O)NC1=CC=C(C=C1)C(=O)COC(=O)C2CCC2 |
| InChIKey | WUULSBVKUSHQGA-UHFFFAOYSA-N |
The XLogP value of 3.0 indicates that [2-[4-(3-Methylbutanoylamino)phenyl]-2-oxoethyl] cyclobutanecarboxylate 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-(3-Methylbutanoylamino)phenyl]-2-oxoethyl] cyclobutanecarboxylate. Following Lipinski's Rule of Five, [2-[4-(3-Methylbutanoylamino)phenyl]-2-oxoethyl] cyclobutanecarboxylate 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-(3-Methylbutanoylamino)phenyl]-2-oxoethyl] cyclobutanecarboxylate is 1004237-68-6.
The molecular formula of [2-[4-(3-Methylbutanoylamino)phenyl]-2-oxoethyl] cyclobutanecarboxylate is C18H23NO4.
The molecular weight of [2-[4-(3-Methylbutanoylamino)phenyl]-2-oxoethyl] cyclobutanecarboxylate is 317.16272 g/mol.
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