TL;DR: RefChem:372014 (CAS 63978-44-9) is a chemical compound with molecular formula C25H34Cl3N5 and molecular weight 509.188 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-methyl-1,2-diphenyl-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]ethanamine;trihydrochloride
Also Known As: 1-(2-(N-(1,2-Diphenylethyl)-N-methylamino)ethyl)-4-(2-pyrimidyl)piperazine trihydrochloride, Piperazine, 1-(2-(N-(1,2-diphenylethyl)-N-methylamino)ethyl)-4-(2-pyrimidyl)-, trihydrochloride, n-methyl-1,2-diphenyl-n-{2-[4-(pyrimidin-2-yl)piperazin-1-yl]ethyl}ethanamine trihydrochloride, 1-Piperazineethanamine, N-(1,2-diphenylethyl)-N-methyl-4-(2-pyrimidinyl)-, trihydrochloride, N-methyl-1,2-diphenyl-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]ethanamine trihydrochloride
| Molecular Formula | C25H34Cl3N5 |
| Molecular Weight | 509.188 g/mol |
| XLogP | 4.78 |
| Topological Polar Surface Area (TPSA) | 35.5 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 509.188 Da |
| Heavy Atoms | 33 |
| Complexity | 460.0 |
| SMILES | CN(CCN1CCN(CC1)C2=NC=CC=N2)C(CC3=CC=CC=C3)C4=CC=CC=C4.Cl.Cl.Cl |
| InChIKey | GLAWRKBSZUMAOV-UHFFFAOYSA-N |
The XLogP value of 4.78 indicates that RefChem:372014 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.5 Ų, RefChem:372014 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:372014 has 3 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of RefChem:372014 is 63978-44-9.
The molecular formula of RefChem:372014 is C25H34Cl3N5.
The molecular weight of RefChem:372014 is 509.188 g/mol.
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