TL;DR: 1,1'-Biphenyl, 6'-formyl-2,3,4'-trimethoxy- (CAS 145068-43-5) is a chemical compound with molecular formula C16H16O4 and molecular weight 272.10486 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(2,3-dimethoxyphenyl)-5-methoxybenzaldehyde
Also Known As: 1,1'-Biphenyl, 6'-formyl-2,3,4'-trimethoxy-, 2-(2,3-dimethoxyphenyl)-5-methoxybenzaldehyde, 2',3',4-Trimethoxy[1,1'-biphenyl]-2-carboxaldehyde, 2',3',4-Trimethoxy[1,1'-biphenyl]-2-carbaldehyde #
| Molecular Formula | C16H16O4 |
| Molecular Weight | 272.10486 g/mol |
| XLogP | 2.9 |
| Topological Polar Surface Area (TPSA) | 44.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 272.10486 Da |
| Heavy Atoms | 20 |
| Complexity | 307.0 |
| SMILES | COC1=CC(=C(C=C1)C2=C(C(=CC=C2)OC)OC)C=O |
| InChIKey | WLMJBMYBULVYKX-UHFFFAOYSA-N |
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,1'-Biphenyl, 6'-formyl-2,3,4'-trimethoxy-. With a topological polar surface area (TPSA) of 44.8 Ų, 1,1'-Biphenyl, 6'-formyl-2,3,4'-trimethoxy- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,1'-Biphenyl, 6'-formyl-2,3,4'-trimethoxy- has 0 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 1,1'-Biphenyl, 6'-formyl-2,3,4'-trimethoxy- is 145068-43-5.
The molecular formula of 1,1'-Biphenyl, 6'-formyl-2,3,4'-trimethoxy- is C16H16O4.
The molecular weight of 1,1'-Biphenyl, 6'-formyl-2,3,4'-trimethoxy- is 272.10486 g/mol.
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