TL;DR: Dicamba-diolamine (CAS 25059-78-3) is a chemical compound with molecular formula C12H17Cl2NO5 and molecular weight 325.04837 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3,6-dichloro-2-methoxybenzoic acid;2-(2-hydroxyethylamino)ethanol
Also Known As: Dicamba-diolamine, Dicamba diethanolamine salt, Dicamba-diolamine [ISO], Diethanolamine dicamba, DICAMBA DIOLAMINE
| Molecular Formula | C12H17Cl2NO5 |
| Molecular Weight | 325.04837 g/mol |
| XLogP | 1.26 |
| Topological Polar Surface Area (TPSA) | 99.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 325.04837 Da |
| Heavy Atoms | 20 |
| Complexity | 227.0 |
| SMILES | COC1=C(C=CC(=C1C(=O)O)Cl)Cl.C(CO)NCCO |
| InChIKey | RAKSGYQDDJHPCC-UHFFFAOYSA-N |
The XLogP value of 1.26 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Dicamba-diolamine. The TPSA of 99.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Dicamba-diolamine. Following Lipinski's Rule of Five, Dicamba-diolamine has 4 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of Dicamba-diolamine is 25059-78-3.
The molecular formula of Dicamba-diolamine is C12H17Cl2NO5.
The molecular weight of Dicamba-diolamine is 325.04837 g/mol.
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