TL;DR: CTK4B5297 (CAS 126661-34-5) is a chemical compound with molecular formula C26H30N2O7 and molecular weight 482.2053 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
but-2-enedioic acid;N-[4-[2-[2-[3-(tert-butylamino)-2-hydroxypropoxy]phenyl]ethynyl]phenyl]formamide
Also Known As: Formamide, N-(4-((2-(3-((1,1-dimethylethyl)amino)-2-hydroxypropoxy)phenyl)ethynyl)phenyl)-, (E)-2-butenedioate (1:1)(salt), N-[4-[2-[2-[2-HYDROXY-3-(TERT-BUTYLAMINO)PROPOXY]PHENYL]ETHYNYL]PHENYL]FORMAMIDE MALEATE
| Molecular Formula | C26H30N2O7 |
| Molecular Weight | 482.2053 g/mol |
| XLogP | 2.4943 |
| Topological Polar Surface Area (TPSA) | 145.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 11 |
| Exact Mass | 482.2053 Da |
| Heavy Atoms | 35 |
| Complexity | 628.0 |
| SMILES | CC(C)(C)NCC(COC1=CC=CC=C1C#CC2=CC=C(C=C2)NC=O)O.C(=CC(=O)O)C(=O)O |
| InChIKey | SEEFMMVHRDFGRV-UHFFFAOYSA-N |
The XLogP value of 2.4943 suggests moderate lipophilicity, balancing water solubility and membrane permeability for CTK4B5297. The TPSA of 145.0 Ų indicates high polarity, suggesting CTK4B5297 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, CTK4B5297 has 5 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of CTK4B5297 is 126661-34-5.
The molecular formula of CTK4B5297 is C26H30N2O7.
The molecular weight of CTK4B5297 is 482.2053 g/mol.
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