TL;DR: (3-Bromo-4,5-dimethoxyphenyl)(hydroxyimino)methane (CAS 1195133-10-8) is a chemical compound with molecular formula C9H10BrNO3 and molecular weight 258.9844 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(NE)-N-[(3-bromo-4,5-dimethoxyphenyl)methylidene]hydroxylamine
Also Known As: 3-bromo-4,5-dimethoxybenzaldehyde oxime, (3-bromo-4,5-dimethoxyphenyl)(hydroxyimino)methane, 3-Bromo-4,5-dimethoxybenzaldehyde oxime, AldrichCPR, (E)-N-[(3-bromo-4,5-dimethoxyphenyl)methylidene]hydroxylamine, (NE)-N-[(3-bromo-4,5-dimethoxyphenyl)methylidene]hydroxylamine
| Molecular Formula | C9H10BrNO3 |
| Molecular Weight | 258.9844 g/mol |
| XLogP | 2.3 |
| Topological Polar Surface Area (TPSA) | 51.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 258.9844 Da |
| Heavy Atoms | 14 |
| Complexity | 200.0 |
| SMILES | COC1=C(C(=CC(=C1)/C=N/O)Br)OC |
| InChIKey | OCNSTQXEEIHAAC-VZUCSPMQSA-N |
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (3-Bromo-4,5-dimethoxyphenyl)(hydroxyimino)methane. With a topological polar surface area (TPSA) of 51.1 Ų, (3-Bromo-4,5-dimethoxyphenyl)(hydroxyimino)methane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (3-Bromo-4,5-dimethoxyphenyl)(hydroxyimino)methane has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of (3-Bromo-4,5-dimethoxyphenyl)(hydroxyimino)methane is 1195133-10-8.
The molecular formula of (3-Bromo-4,5-dimethoxyphenyl)(hydroxyimino)methane is C9H10BrNO3.
The molecular weight of (3-Bromo-4,5-dimethoxyphenyl)(hydroxyimino)methane is 258.9844 g/mol.
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