TL;DR: 4-(3-Bromopropoxy)-3-methoxybenzaldehyde (CAS 148433-00-5) is a chemical compound with molecular formula C11H13BrO3 and molecular weight 272.00482 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-(3-bromopropoxy)-3-methoxybenzaldehyde
Also Known As: 4-(3-bromopropoxy)-3-methoxybenzaldehyde, Benzaldehyde, 4-(3-bromopropoxy)-3-methoxy-, 4-(3-bromopropoxy)-3-methoxy-benzaldehyde, 4-(3-BROMO-PROPOXY)-3-METHOXY-BENZALDEHYDE, H34421
| Molecular Formula | C11H13BrO3 |
| Molecular Weight | 272.00482 g/mol |
| XLogP | 2.4 |
| Topological Polar Surface Area (TPSA) | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 272.00482 Da |
| Heavy Atoms | 15 |
| Complexity | 187.0 |
| SMILES | COC1=C(C=CC(=C1)C=O)OCCCBr |
| InChIKey | YZBJCXWTOVSHDQ-UHFFFAOYSA-N |
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(3-Bromopropoxy)-3-methoxybenzaldehyde. With a topological polar surface area (TPSA) of 35.5 Ų, 4-(3-Bromopropoxy)-3-methoxybenzaldehyde exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(3-Bromopropoxy)-3-methoxybenzaldehyde has 0 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 4-(3-Bromopropoxy)-3-methoxybenzaldehyde is 148433-00-5.
The molecular formula of 4-(3-Bromopropoxy)-3-methoxybenzaldehyde is C11H13BrO3.
The molecular weight of 4-(3-Bromopropoxy)-3-methoxybenzaldehyde is 272.00482 g/mol.
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