TL;DR: Phemeppep (CAS 141117-03-5) is a chemical compound with molecular formula C23H23FN4O3 and molecular weight 422.1754 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(4R,6S)-6-[(E)-2-[5-(4-fluorophenyl)-3-propan-2-yl-1-pyrazin-2-ylpyrazol-4-yl]ethenyl]-4-hydroxyoxan-2-one
Also Known As: Phemeppep, (+)(-)-Phemeppep, 6-(2-(5-(p-Fluorophenyl)-3-(1-methylethyl)-1-(2-pyrazinyl)-1H-pyrazol-4-yl)ethenyl)tetrahydro-4-hydroxy-2H-pyran-2-one, 6-(2-(5-3-1- tetrahydro-4-hydroxy-2h-pyran-2-one, (4R,6S)-6-[(E)-2-[5-(4-fluorophenyl)-3-propan-2-yl-1-pyrazin-2-ylpyrazol-4-yl]ethenyl]-4-hydroxyoxan-2-one
| Molecular Formula | C23H23FN4O3 |
| Molecular Weight | 422.1754 g/mol |
| XLogP | 2.8 |
| Topological Polar Surface Area (TPSA) | 90.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 422.1754 Da |
| Heavy Atoms | 31 |
| Complexity | 640.0 |
| SMILES | CC(C)C1=NN(C(=C1/C=C/[C@@H]2C[C@H](CC(=O)O2)O)C3=CC=C(C=C3)F)C4=NC=CN=C4 |
| InChIKey | DGFDLCBGMWSZNF-HNGSOEQISA-N |
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Phemeppep. The TPSA of 90.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Phemeppep. Following Lipinski's Rule of Five, Phemeppep has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of Phemeppep is 141117-03-5.
The molecular formula of Phemeppep is C23H23FN4O3.
The molecular weight of Phemeppep is 422.1754 g/mol.
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