TL;DR: Metazachlor - Diclonon mixture (CAS 113639-02-4) is a chemical compound with molecular formula C26H34Cl3N5O3 and molecular weight 569.1727 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-chloro-N-(2,6-dimethylphenyl)-N-(pyrazol-1-ylmethyl)acetamide;1-(2,2-dichloroacetyl)-3,3,8a-trimethyl-2,4,7,8-tetrahydropyrrolo[1,2-a]pyrimidin-6-one
Also Known As: Metazachlor - Diclonon mixture, Diclonon mixture with Metazachlor, BAS 485-43H, Acetamide, 2-chloro-N-(2,6-dimethylphenyl)-N-(1H-pyrazol-1-ylmethyl)-, mixt. with 1-(dichloroacetyl)hexahydro-3,3,8a-trimethylpyrrolo(1,2-a)pyrimidin-6(2H)-one, 2-chloro-N-(2,6-dimethylphenyl)-N-(pyrazol-1-ylmethyl)acetamide; 1-(2,2-dichloroacetyl)-3,3,8a-trimethyl-2,4,7,8-tetrahydropyrrolo[1,2-a]pyrimidin-6-one
| Molecular Formula | C26H34Cl3N5O3 |
| Molecular Weight | 569.1727 g/mol |
| XLogP | 4.72654 |
| Topological Polar Surface Area (TPSA) | 78.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 569.1727 Da |
| Heavy Atoms | 37 |
| Complexity | 701.0 |
| SMILES | CC1=C(C(=CC=C1)C)N(CN2C=CC=N2)C(=O)CCl.CC1(CN2C(=O)CCC2(N(C1)C(=O)C(Cl)Cl)C)C |
| InChIKey | GHVSILXXEZNKLX-UHFFFAOYSA-N |
The XLogP value of 4.72654 indicates that Metazachlor - Diclonon mixture is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Metazachlor - Diclonon mixture. Following Lipinski's Rule of Five, Metazachlor - Diclonon mixture has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of Metazachlor - Diclonon mixture is 113639-02-4.
The molecular formula of Metazachlor - Diclonon mixture is C26H34Cl3N5O3.
The molecular weight of Metazachlor - Diclonon mixture is 569.1727 g/mol.
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