TL;DR: 3,5-dibromo-4-[(2-fluorophenyl)methoxy]benzoic Acid (CAS 1002970-34-4) is a chemical compound with molecular formula C14H9Br2FO3 and molecular weight 401.89026 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3,5-dibromo-4-[(2-fluorophenyl)methoxy]benzoic acid
Also Known As: 3,5-dibromo-4-[(2-fluorophenyl)methoxy]benzoic Acid, 3,5-dibromo-4-[(2-fluorobenzyl)oxy]benzoic acid
| Molecular Formula | C14H9Br2FO3 |
| Molecular Weight | 401.89026 g/mol |
| XLogP | 4.4 |
| Topological Polar Surface Area (TPSA) | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 401.89026 Da |
| Heavy Atoms | 20 |
| Complexity | 330.0 |
| SMILES | C1=CC=C(C(=C1)COC2=C(C=C(C=C2Br)C(=O)O)Br)F |
| InChIKey | BPMFLPDHGSVYIA-UHFFFAOYSA-N |
The XLogP value of 4.4 indicates that 3,5-dibromo-4-[(2-fluorophenyl)methoxy]benzoic Acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.5 Ų, 3,5-dibromo-4-[(2-fluorophenyl)methoxy]benzoic Acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,5-dibromo-4-[(2-fluorophenyl)methoxy]benzoic Acid has 1 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 3,5-dibromo-4-[(2-fluorophenyl)methoxy]benzoic Acid is 1002970-34-4.
The molecular formula of 3,5-dibromo-4-[(2-fluorophenyl)methoxy]benzoic Acid is C14H9Br2FO3.
The molecular weight of 3,5-dibromo-4-[(2-fluorophenyl)methoxy]benzoic Acid is 401.89026 g/mol.
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