TL;DR: 2,4-Dichloro-6-(4-fluorophenoxy)-1,3,5-triazine (CAS 112748-46-6) is a chemical compound with molecular formula C9H4Cl2FN3O and molecular weight 258.97156 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2,4-dichloro-6-(4-fluorophenoxy)-1,3,5-triazine
Also Known As: 2,4-dichloro-6-(4-fluorophenoxy)-1,3,5-triazine, 1,3,5-Triazine,2,4-dichloro-6-(4-fluorophenoxy)-, K-0967, 2,4dichloro-6-(4-fluorophenoxy)-1,3,5-triazine, 2,4-dichloro-6-(4 fluorophenoxy)-1,3,5-triazine
| Molecular Formula | C9H4Cl2FN3O |
| Molecular Weight | 258.97156 g/mol |
| XLogP | 3.9 |
| Topological Polar Surface Area (TPSA) | 47.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 258.97156 Da |
| Heavy Atoms | 16 |
| Complexity | 219.0 |
| SMILES | C1=CC(=CC=C1OC2=NC(=NC(=N2)Cl)Cl)F |
| InChIKey | AXBBKPROLZJRKM-UHFFFAOYSA-N |
The XLogP value of 3.9 indicates that 2,4-Dichloro-6-(4-fluorophenoxy)-1,3,5-triazine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 47.9 Ų, 2,4-Dichloro-6-(4-fluorophenoxy)-1,3,5-triazine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,4-Dichloro-6-(4-fluorophenoxy)-1,3,5-triazine has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 2,4-Dichloro-6-(4-fluorophenoxy)-1,3,5-triazine is 112748-46-6.
The molecular formula of 2,4-Dichloro-6-(4-fluorophenoxy)-1,3,5-triazine is C9H4Cl2FN3O.
The molecular weight of 2,4-Dichloro-6-(4-fluorophenoxy)-1,3,5-triazine is 258.97156 g/mol.
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