TL;DR: CTK4B6361 (CAS 129664-18-2) is a chemical compound with molecular formula C25H34N4O5 and molecular weight 470.25293 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
but-2-enedioic acid;4-(2-methylpentoxy)-2-(4-prop-2-enylpiperazin-1-yl)quinazoline
Also Known As: 2-(4-Allyl-1-piperazinyl)-4-(2-methylpentoxy)quinazoline fumarate, 2-(4-ALLYL-(PIPERAZIN-1-YL))-4-(2-METHYLPENTOXY)QUINAZOLINE FUMARATE, Quinazoline, 4-((2-methylpentyl)oxy)-2-(4-(2-propenyl)-1-piperazinyl)-, (E)-2-butenedioate (1:1)
| Molecular Formula | C25H34N4O5 |
| Molecular Weight | 470.25293 g/mol |
| XLogP | 3.4646 |
| Topological Polar Surface Area (TPSA) | 116.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 10 |
| Exact Mass | 470.25293 Da |
| Heavy Atoms | 34 |
| Complexity | 543.0 |
| SMILES | CCCC(C)COC1=NC(=NC2=CC=CC=C21)N3CCN(CC3)CC=C.C(=CC(=O)O)C(=O)O |
| InChIKey | ABBJTZBIJPLIOG-UHFFFAOYSA-N |
The XLogP value of 3.4646 indicates that CTK4B6361 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 116.0 Ų falls within the moderate polarity range, balancing permeability and solubility for CTK4B6361. Following Lipinski's Rule of Five, CTK4B6361 has 2 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of CTK4B6361 is 129664-18-2.
The molecular formula of CTK4B6361 is C25H34N4O5.
The molecular weight of CTK4B6361 is 470.25293 g/mol.
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