TL;DR: 2-Methoxyethyl 6-bromo-5-hydroxy-2-methyl-1-benzofuran-3-carboxylate (CAS 405924-27-8) is a chemical compound with molecular formula C13H13BrO5 and molecular weight 327.99463 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-methoxyethyl 6-bromo-5-hydroxy-2-methyl-1-benzofuran-3-carboxylate
Also Known As: 2-methoxyethyl 6-bromo-5-hydroxy-2-methyl-1-benzofuran-3-carboxylate, 2-methoxyethyl 6-bromo-5-hydroxy-2-methylbenzofuran-3-carboxylate, F1190-0066, 2-methoxyethyl 6-bromo-5-hydroxy-2-methylbenzo[b]furan-3-carboxylate
| Molecular Formula | C13H13BrO5 |
| Molecular Weight | 327.99463 g/mol |
| XLogP | 2.8 |
| Topological Polar Surface Area (TPSA) | 68.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 327.99463 Da |
| Heavy Atoms | 19 |
| Complexity | 324.0 |
| SMILES | CC1=C(C2=CC(=C(C=C2O1)Br)O)C(=O)OCCOC |
| InChIKey | DVWMWGBIRQHWFL-UHFFFAOYSA-N |
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Methoxyethyl 6-bromo-5-hydroxy-2-methyl-1-benzofuran-3-carboxylate. The TPSA of 68.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Methoxyethyl 6-bromo-5-hydroxy-2-methyl-1-benzofuran-3-carboxylate. Following Lipinski's Rule of Five, 2-Methoxyethyl 6-bromo-5-hydroxy-2-methyl-1-benzofuran-3-carboxylate has 1 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-Methoxyethyl 6-bromo-5-hydroxy-2-methyl-1-benzofuran-3-carboxylate is 405924-27-8.
The molecular formula of 2-Methoxyethyl 6-bromo-5-hydroxy-2-methyl-1-benzofuran-3-carboxylate is C13H13BrO5.
The molecular weight of 2-Methoxyethyl 6-bromo-5-hydroxy-2-methyl-1-benzofuran-3-carboxylate is 327.99463 g/mol.
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