TL;DR: Bionet1_003549 (CAS 478050-15-6) is a chemical compound with molecular formula C22H18ClFN2O and molecular weight 380.10916 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-(4-chlorophenyl)-2-(4-fluorophenyl)-5-(3-methoxyphenyl)-3,4-dihydropyrazole
Also Known As: Bionet1_003549, 5-(4-chlorophenyl)-1-(4-fluorophenyl)-3-(3-methoxyphenyl)-4,5-dihydro-1H-pyrazole, 5N-758, 3-(4-chlorophenyl)-2-(4-fluorophenyl)-5-(3-methoxyphenyl)-3,4-dihydropyrazole, C22H18ClFN2O
| Molecular Formula | C22H18ClFN2O |
| Molecular Weight | 380.10916 g/mol |
| XLogP | 5.7 |
| Topological Polar Surface Area (TPSA) | 24.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 380.10916 Da |
| Heavy Atoms | 27 |
| Complexity | 514.0 |
| SMILES | COC1=CC=CC(=C1)C2=NN(C(C2)C3=CC=C(C=C3)Cl)C4=CC=C(C=C4)F |
| InChIKey | ZXXYZWGBJCHAQB-UHFFFAOYSA-N |
The XLogP value of 5.7 indicates that Bionet1_003549 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 24.8 Ų, Bionet1_003549 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Bionet1_003549 has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of Bionet1_003549 is 478050-15-6.
The molecular formula of Bionet1_003549 is C22H18ClFN2O.
The molecular weight of Bionet1_003549 is 380.10916 g/mol.
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