TL;DR: s-Triazine, 6-chloro-2-(diisopropylamino)-4-phenethylamino- (CAS 111535-42-3) is a chemical compound with molecular formula C17H24ClN5 and molecular weight 333.17203 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
6-chloro-4-N-(1-phenylethyl)-2-N,2-N-di(propan-2-yl)-1,3,5-triazine-2,4-diamine
Also Known As: 5-Hydroxyisoavrainvilleol, s-Triazine, 6-chloro-2-(diisopropylamino)-4-phenethylamino-, 1,3,5-Triazine-2,4-diamine, 6-chloro-N,N-bis(1-methylethyl)-N'-(1-phenylethyl)-, 4-Chloro-6-[(1-phenylethyl)imino]-N,N-di(propan-2-yl)-1,6-dihydro-1,3,5-triazin-2-amine, 6-chloro-4-N-(1-phenylethyl)-2-N,2-N-di(propan-2-yl)-1,3,5-triazine-2,4-diamine
| Molecular Formula | C17H24ClN5 |
| Molecular Weight | 333.17203 g/mol |
| XLogP | 5.2 |
| Topological Polar Surface Area (TPSA) | 53.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 333.17203 Da |
| Heavy Atoms | 23 |
| Complexity | 338.0 |
| SMILES | CC(C)N(C1=NC(=NC(=N1)NC(C)C2=CC=CC=C2)Cl)C(C)C |
| InChIKey | HKLHDWRTLRCXJM-UHFFFAOYSA-N |
The XLogP value of 5.2 indicates that s-Triazine, 6-chloro-2-(diisopropylamino)-4-phenethylamino- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 53.9 Ų, s-Triazine, 6-chloro-2-(diisopropylamino)-4-phenethylamino- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, s-Triazine, 6-chloro-2-(diisopropylamino)-4-phenethylamino- has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of s-Triazine, 6-chloro-2-(diisopropylamino)-4-phenethylamino- is 111535-42-3.
The molecular formula of s-Triazine, 6-chloro-2-(diisopropylamino)-4-phenethylamino- is C17H24ClN5.
The molecular weight of s-Triazine, 6-chloro-2-(diisopropylamino)-4-phenethylamino- is 333.17203 g/mol.
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