TL;DR: Zaldaride (CAS 109826-26-8) is a chemical compound with molecular formula C26H28N4O2 and molecular weight 428.22122 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-[1-[(4-methyl-6H-pyrrolo[1,2-a][4,1]benzoxazepin-4-yl)methyl]piperidin-4-yl]-1H-benzimidazol-2-one
Also Known As: Zaldaride, Zaldaride [INN], zaldarida, zaldaridum, Zaldaride maleate
Top 5 of 3 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C26H28N4O2 |
| Molecular Weight | 428.22122 g/mol |
| XLogP | 2.9 |
| Topological Polar Surface Area (TPSA) | 49.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 428.22122 Da |
| Heavy Atoms | 32 |
| Complexity | 695.0 |
| SMILES | CC1(C2=CC=CN2C3=CC=CC=C3CO1)CN4CCC(CC4)N5C6=CC=CC=C6NC5=O |
| InChIKey | HTGCJAAPDHZCHL-UHFFFAOYSA-N |
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Zaldaride. With a topological polar surface area (TPSA) of 49.7 Ų, Zaldaride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Zaldaride has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of Zaldaride is 109826-26-8.
The molecular formula of Zaldaride is C26H28N4O2.
The molecular weight of Zaldaride is 428.22122 g/mol.
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