TL;DR: 6-Chloro-N-(4-chloro-phenyl)-N'-phenyl-[1,3,5]triazine-2,4-diamine (CAS 100961-15-7) is a chemical compound with molecular formula C15H11Cl2N5 and molecular weight 331.03915 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
6-chloro-2-N-(4-chlorophenyl)-4-N-phenyl-1,3,5-triazine-2,4-diamine
Also Known As: 6-Chloro-N-(4-chloro-phenyl)-N'-phenyl-[1,3,5]triazine-2,4-diamine, BAS 00854041, 2-Anilino-4-chlor-6-<4-chlor-anilino>-s-triazin, 6-Chloro-N-(4-chlorophenyl)-N'-phenyl-[1,3,5]triazine-2,4-diamine, 6-CHLORO-N2-(4-CHLOROPHENYL)-N4-PHENYL-1,3,5-TRIAZINE-2,4-DIAMINE
| Molecular Formula | C15H11Cl2N5 |
| Molecular Weight | 331.03915 g/mol |
| XLogP | 5.3 |
| Topological Polar Surface Area (TPSA) | 62.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 331.03915 Da |
| Heavy Atoms | 22 |
| Complexity | 332.0 |
| SMILES | C1=CC=C(C=C1)NC2=NC(=NC(=N2)Cl)NC3=CC=C(C=C3)Cl |
| InChIKey | YQOJJUNVCIZYMI-UHFFFAOYSA-N |
The XLogP value of 5.3 indicates that 6-Chloro-N-(4-chloro-phenyl)-N'-phenyl-[1,3,5]triazine-2,4-diamine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 62.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-Chloro-N-(4-chloro-phenyl)-N'-phenyl-[1,3,5]triazine-2,4-diamine. Following Lipinski's Rule of Five, 6-Chloro-N-(4-chloro-phenyl)-N'-phenyl-[1,3,5]triazine-2,4-diamine has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 6-Chloro-N-(4-chloro-phenyl)-N'-phenyl-[1,3,5]triazine-2,4-diamine is 100961-15-7.
The molecular formula of 6-Chloro-N-(4-chloro-phenyl)-N'-phenyl-[1,3,5]triazine-2,4-diamine is C15H11Cl2N5.
The molecular weight of 6-Chloro-N-(4-chloro-phenyl)-N'-phenyl-[1,3,5]triazine-2,4-diamine is 331.03915 g/mol.
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