TL;DR: Isocarfentanil (CAS 156724-56-0) is a chemical compound with molecular formula C24H30N2O3 and molecular weight 394.22565 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl 1-(2-phenylethyl)-4-(N-propanoylanilino)piperidine-3-carboxylate
Also Known As: Isocarfentanil, Methyl 1-phenethyl-4-(phenyl-propanoyl-amino)piperidine-3-carboxylate
| Molecular Formula | C24H30N2O3 |
| Molecular Weight | 394.22565 g/mol |
| XLogP | 3.6 |
| Topological Polar Surface Area (TPSA) | 49.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 394.22565 Da |
| Heavy Atoms | 29 |
| Complexity | 526.0 |
| SMILES | CCC(=O)N(C1CCN(CC1C(=O)OC)CCC2=CC=CC=C2)C3=CC=CC=C3 |
| InChIKey | ICJRJLQXLMKEML-UHFFFAOYSA-N |
The XLogP value of 3.6 indicates that Isocarfentanil is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 49.9 Ų, Isocarfentanil exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Isocarfentanil has 0 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 Isocarfentanil is 156724-56-0.
The molecular formula of Isocarfentanil is C24H30N2O3.
The molecular weight of Isocarfentanil is 394.22565 g/mol.
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