TL;DR: 2'-Hydroxy-3',4,5'-trichlorochalcone (CAS 126267-45-6) is a chemical compound with molecular formula C15H9Cl3O2 and molecular weight 325.96683 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(E)-3-(4-chlorophenyl)-1-(3,5-dichloro-2-hydroxyphenyl)prop-2-en-1-one
Also Known As: 2'-HYDROXY-3',4,5'-TRICHLOROCHALCONE, AB01315411-02, AB01315411-03, 2'-Hydroxy-3',4,5'-trichlorochalcone, AldrichCPR, (E)-3-(4-chlorophenyl)-1-(3,5-dichloro-2-hydroxyphenyl)prop-2-en-1-one
| Molecular Formula | C15H9Cl3O2 |
| Molecular Weight | 325.96683 g/mol |
| XLogP | 5.8 |
| Topological Polar Surface Area (TPSA) | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 325.96683 Da |
| Heavy Atoms | 20 |
| Complexity | 364.0 |
| SMILES | C1=CC(=CC=C1/C=C/C(=O)C2=C(C(=CC(=C2)Cl)Cl)O)Cl |
| InChIKey | WWLYABRIEBRVJG-ZZXKWVIFSA-N |
The XLogP value of 5.8 indicates that 2'-Hydroxy-3',4,5'-trichlorochalcone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 37.3 Ų, 2'-Hydroxy-3',4,5'-trichlorochalcone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2'-Hydroxy-3',4,5'-trichlorochalcone has 1 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 2'-Hydroxy-3',4,5'-trichlorochalcone is 126267-45-6.
The molecular formula of 2'-Hydroxy-3',4,5'-trichlorochalcone is C15H9Cl3O2.
The molecular weight of 2'-Hydroxy-3',4,5'-trichlorochalcone is 325.96683 g/mol.
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