TL;DR: Benzaldehyde, 2,6-difluoro-3,4-dihydroxy- (CAS 152434-98-5) is a chemical compound with molecular formula C7H4F2O3 and molecular weight 174.01285 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2,6-difluoro-3,4-dihydroxybenzaldehyde
Also Known As: 2,6-Difluoro-3,4-dihydroxybenzaldehyde, Benzaldehyde, 2,6-difluoro-3,4-dihydroxy-, 2,6-Difluoro-3,4-dihydroxybenzaldehyde #
| Molecular Formula | C7H4F2O3 |
| Molecular Weight | 174.01285 g/mol |
| XLogP | 0.9 |
| Topological Polar Surface Area (TPSA) | 57.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 174.01285 Da |
| Heavy Atoms | 12 |
| Complexity | 176.0 |
| SMILES | C1=C(C(=C(C(=C1F)C=O)F)O)O |
| InChIKey | KWHDZAGKJMRNBM-UHFFFAOYSA-N |
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzaldehyde, 2,6-difluoro-3,4-dihydroxy-. With a topological polar surface area (TPSA) of 57.5 Ų, Benzaldehyde, 2,6-difluoro-3,4-dihydroxy- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzaldehyde, 2,6-difluoro-3,4-dihydroxy- has 2 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 Benzaldehyde, 2,6-difluoro-3,4-dihydroxy- is 152434-98-5.
The molecular formula of Benzaldehyde, 2,6-difluoro-3,4-dihydroxy- is C7H4F2O3.
The molecular weight of Benzaldehyde, 2,6-difluoro-3,4-dihydroxy- is 174.01285 g/mol.
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