TL;DR: RefChem:509523 (CAS 152459-93-3) is a chemical compound with molecular formula C28H29N7O and molecular weight 479.24335 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-[(4-methylpiperazin-1-yl)methyl]-N-[3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide
Also Known As: 1y57, Imatinib and nilotinib derivative 1, 4-[(4-METHYL-1-PIPERAZINYL)METHYL]-N-[3-[[4-(3-PYRIDINYL)-2-PYRIMIDINYL]AMINO]PHENYL]-BENZAMIDE, 4-[(4-METHYLPIPERAZIN-1-YL)METHYL]-N-{3-[(4-PYRIDIN-3-YLPYRIMIDIN-2-YL)AMINO]PHENYL}BENZAMIDE, MPZ
| Molecular Formula | C28H29N7O |
| Molecular Weight | 479.24335 g/mol |
| XLogP | 3.2 |
| Topological Polar Surface Area (TPSA) | 86.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 479.24335 Da |
| Heavy Atoms | 36 |
| Complexity | 677.0 |
| SMILES | CN1CCN(CC1)CC2=CC=C(C=C2)C(=O)NC3=CC=CC(=C3)NC4=NC=CC(=N4)C5=CN=CC=C5 |
| InChIKey | JHMBUEWQJDGKGS-UHFFFAOYSA-N |
The XLogP value of 3.2 indicates that RefChem:509523 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 86.3 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:509523. Following Lipinski's Rule of Five, RefChem:509523 has 2 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of RefChem:509523 is 152459-93-3.
The molecular formula of RefChem:509523 is C28H29N7O.
The molecular weight of RefChem:509523 is 479.24335 g/mol.
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