TL;DR: 3,5-Dibromo-2-hydroxy-4-methoxybenzaldehyde (CAS 117238-61-6) is a chemical compound with molecular formula C8H6Br2O3 and molecular weight 307.86838 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3,5-dibromo-2-hydroxy-4-methoxybenzaldehyde
Also Known As: 3,5-Dibromo-2-hydroxy-4-methoxybenzaldehyde, 3,5-dibromo-2-hydroxy-4-methoxy-benzaldehyde, Benzaldehyde, 3,5-dibromo-2-hydroxy-4-methoxy-, 3.5-Dibrom-2-oxy-4-methoxy-benzaldehyd, 2-Hydroxy-3,5-dibromo-4-methoxybenzaldehyde
| Molecular Formula | C8H6Br2O3 |
| Molecular Weight | 307.86838 g/mol |
| XLogP | 2.9 |
| Topological Polar Surface Area (TPSA) | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 307.86838 Da |
| Heavy Atoms | 13 |
| Complexity | 188.0 |
| SMILES | COC1=C(C=C(C(=C1Br)O)C=O)Br |
| InChIKey | SWPANPHWQRNQGO-UHFFFAOYSA-N |
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,5-Dibromo-2-hydroxy-4-methoxybenzaldehyde. With a topological polar surface area (TPSA) of 46.5 Ų, 3,5-Dibromo-2-hydroxy-4-methoxybenzaldehyde exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,5-Dibromo-2-hydroxy-4-methoxybenzaldehyde 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 3,5-Dibromo-2-hydroxy-4-methoxybenzaldehyde is 117238-61-6.
The molecular formula of 3,5-Dibromo-2-hydroxy-4-methoxybenzaldehyde is C8H6Br2O3.
The molecular weight of 3,5-Dibromo-2-hydroxy-4-methoxybenzaldehyde is 307.86838 g/mol.
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