TL;DR: 4,6-Dichlorobenzene-1,3-dicarbaldehyde (CAS 108009-48-9) is a chemical compound with molecular formula C8H4Cl2O2 and molecular weight 201.95883 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4,6-dichlorobenzene-1,3-dicarbaldehyde
Also Known As: 4,6-dichloroisophthalaldehyde, 4,6-dichlorobenzene-1,3-dicarbaldehyde
| Molecular Formula | C8H4Cl2O2 |
| Molecular Weight | 201.95883 g/mol |
| XLogP | 2.1 |
| Topological Polar Surface Area (TPSA) | 34.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 201.95883 Da |
| Heavy Atoms | 12 |
| Complexity | 166.0 |
| SMILES | C1=C(C(=CC(=C1C=O)Cl)Cl)C=O |
| InChIKey | UCRSXZXOGWHPMG-UHFFFAOYSA-N |
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4,6-Dichlorobenzene-1,3-dicarbaldehyde. With a topological polar surface area (TPSA) of 34.1 Ų, 4,6-Dichlorobenzene-1,3-dicarbaldehyde exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4,6-Dichlorobenzene-1,3-dicarbaldehyde has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 4,6-Dichlorobenzene-1,3-dicarbaldehyde is 108009-48-9.
The molecular formula of 4,6-Dichlorobenzene-1,3-dicarbaldehyde is C8H4Cl2O2.
The molecular weight of 4,6-Dichlorobenzene-1,3-dicarbaldehyde is 201.95883 g/mol.
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