TL;DR: 1-(4,6-Dichloro-1,3,5-triazinyl)-2-methylisoindole (CAS 13910-95-7) is a chemical compound with molecular formula C12H8Cl2N4 and molecular weight 278.0126 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-(4,6-dichloro-1,3,5-triazin-2-yl)-2-methylisoindole
Also Known As: 1-Dtmi, 1-(4,6-Dichloro-1,3,5-triazinyl)-2-methylisoindole, KST-1B0384, 1-(4,6-dichloro-1,3,5-triazin-2-yl)-2-methyl-2h-isoindole, 1-(4,6-dichloro-1,3,5-triazin-2-yl)-2-methylisoindole
| Molecular Formula | C12H8Cl2N4 |
| Molecular Weight | 278.0126 g/mol |
| XLogP | 3.6 |
| Topological Polar Surface Area (TPSA) | 43.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 278.0126 Da |
| Heavy Atoms | 18 |
| Complexity | 294.0 |
| SMILES | CN1C=C2C=CC=CC2=C1C3=NC(=NC(=N3)Cl)Cl |
| InChIKey | AANIJLYZLFMYTF-UHFFFAOYSA-N |
The XLogP value of 3.6 indicates that 1-(4,6-Dichloro-1,3,5-triazinyl)-2-methylisoindole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 43.6 Ų, 1-(4,6-Dichloro-1,3,5-triazinyl)-2-methylisoindole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(4,6-Dichloro-1,3,5-triazinyl)-2-methylisoindole 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 1-(4,6-Dichloro-1,3,5-triazinyl)-2-methylisoindole is 13910-95-7.
The molecular formula of 1-(4,6-Dichloro-1,3,5-triazinyl)-2-methylisoindole is C12H8Cl2N4.
The molecular weight of 1-(4,6-Dichloro-1,3,5-triazinyl)-2-methylisoindole is 278.0126 g/mol.
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