TL;DR: 3,5-Dibromo-2,4-dihydroxybenzaldehyde (CAS 116096-91-4) is a chemical compound with molecular formula C7H4Br2O3 and molecular weight 293.85272 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3,5-dibromo-2,4-dihydroxybenzaldehyde
Also Known As: 3,5-dibromo-2,4-dihydroxybenzaldehyde, starbld0009741, Benzaldehyde, 3,5-dibromo-2,4-dihydroxy-, 3,5-dibromo-2,4-dihydroxy benzaldehyde, 2,4-dihydroxy-3,5-dibromobenzaldehyde
Top 5 of 1 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C7H4Br2O3 |
| Molecular Weight | 293.85272 g/mol |
| XLogP | 3.7 |
| Topological Polar Surface Area (TPSA) | 57.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 293.85272 Da |
| Heavy Atoms | 12 |
| Complexity | 176.0 |
| SMILES | C1=C(C(=C(C(=C1Br)O)Br)O)C=O |
| InChIKey | JEFPULPKKGELPK-UHFFFAOYSA-N |
The XLogP value of 3.7 indicates that 3,5-Dibromo-2,4-dihydroxybenzaldehyde is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.5 Ų, 3,5-Dibromo-2,4-dihydroxybenzaldehyde exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,5-Dibromo-2,4-dihydroxybenzaldehyde has 2 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-2,4-dihydroxybenzaldehyde is 116096-91-4.
The molecular formula of 3,5-Dibromo-2,4-dihydroxybenzaldehyde is C7H4Br2O3.
The molecular weight of 3,5-Dibromo-2,4-dihydroxybenzaldehyde is 293.85272 g/mol.
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