TL;DR: Quinazoline, 2-((2-(4-methyl-1-piperazinyl)ethyl)thio)-4-(2-naphthalenyl)- (CAS 124959-51-9) is a chemical compound with molecular formula C25H26N4S and molecular weight 414.1878 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[2-(4-methylpiperazin-1-yl)ethylsulfanyl]-4-naphthalen-2-ylquinazoline
Also Known As: 2SEt(4MePiperazin)-4NaphQuinazoline, Quinazoline, 2-((2-(4-methyl-1-piperazinyl)ethyl)thio)-4-(2-naphthalenyl)-, 2-((2-(4-Methyl-1-piperazinyl)ethyl)thio)-4-(2-naphthyl)quinazoline, Quinazoline, 2-[[2-(4-methyl-1-piperazinyl)ethyl]thio]-4-(2-naphthalenyl)-, 2-[[2-(4-Methyl-1-piperazinyl)ethyl]thio]-4-(2-naphthyl)quinazoline
| Molecular Formula | C25H26N4S |
| Molecular Weight | 414.1878 g/mol |
| XLogP | 5.1 |
| Topological Polar Surface Area (TPSA) | 57.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 414.1878 Da |
| Heavy Atoms | 30 |
| Complexity | 537.0 |
| SMILES | CN1CCN(CC1)CCSC2=NC3=CC=CC=C3C(=N2)C4=CC5=CC=CC=C5C=C4 |
| InChIKey | IPJYZRLUNFLAMJ-UHFFFAOYSA-N |
The XLogP value of 5.1 indicates that Quinazoline, 2-((2-(4-methyl-1-piperazinyl)ethyl)thio)-4-(2-naphthalenyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.6 Ų, Quinazoline, 2-((2-(4-methyl-1-piperazinyl)ethyl)thio)-4-(2-naphthalenyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Quinazoline, 2-((2-(4-methyl-1-piperazinyl)ethyl)thio)-4-(2-naphthalenyl)- has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of Quinazoline, 2-((2-(4-methyl-1-piperazinyl)ethyl)thio)-4-(2-naphthalenyl)- is 124959-51-9.
The molecular formula of Quinazoline, 2-((2-(4-methyl-1-piperazinyl)ethyl)thio)-4-(2-naphthalenyl)- is C25H26N4S.
The molecular weight of Quinazoline, 2-((2-(4-methyl-1-piperazinyl)ethyl)thio)-4-(2-naphthalenyl)- is 414.1878 g/mol.
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