TL;DR: 2-[2-(Benzyloxy)-5-bromophenyl]acetic acid (CAS 149428-97-7) is a chemical compound with molecular formula C15H13BrO3 and molecular weight 320.00482 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(5-bromo-2-phenylmethoxyphenyl)acetic acid
Also Known As: 2-[2-(benzyloxy)-5-bromophenyl]acetic acid, 2-benzyloxy-5-bromophenylacetic acid, 2-(2-(Benzyloxy)-5-bromophenyl)acetic acid, [2-(benzyloxy)-5-bromophenyl]acetic acid, 2-benzyloxy-5-bromo-phenylacetic acid
| Molecular Formula | C15H13BrO3 |
| Molecular Weight | 320.00482 g/mol |
| XLogP | 2.7 |
| Topological Polar Surface Area (TPSA) | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 320.00482 Da |
| Heavy Atoms | 19 |
| Complexity | 289.0 |
| SMILES | C1=CC=C(C=C1)COC2=C(C=C(C=C2)Br)CC(=O)O |
| InChIKey | HSJKLTHDLBXYAL-UHFFFAOYSA-N |
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[2-(Benzyloxy)-5-bromophenyl]acetic acid. With a topological polar surface area (TPSA) of 46.5 Ų, 2-[2-(Benzyloxy)-5-bromophenyl]acetic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-[2-(Benzyloxy)-5-bromophenyl]acetic acid has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 2-[2-(Benzyloxy)-5-bromophenyl]acetic acid is 149428-97-7.
The molecular formula of 2-[2-(Benzyloxy)-5-bromophenyl]acetic acid is C15H13BrO3.
The molecular weight of 2-[2-(Benzyloxy)-5-bromophenyl]acetic acid is 320.00482 g/mol.
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