TL;DR: 2-[(Z)-(1,3,6-triazatricyclo[4.3.1.1~3,8~]undec-8-ylimino)methyl]phenol (CAS 148122-16-1) is a chemical compound with molecular formula C15H20N4O and molecular weight 272.1637 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(1,3,6-triazatricyclo[4.3.1.13,8]undecan-8-yliminomethyl)phenol
Also Known As: AE-848/31945049, 2-[(Z)-(1,3,6-triazatricyclo[4.3.1.1~3,8~]undec-8-ylimino)methyl]phenol, 2-[(1,3,6-triazatricyclo[4.3.1.1~3,8~]undec-8-ylimino)methyl]phenol, 2-((Z)-((3R)-1,3,6-triazatricyclo[4.3.1.1(3,8)]undecan-8-ylimino)methyl)phenol
| Molecular Formula | C15H20N4O |
| Molecular Weight | 272.1637 g/mol |
| XLogP | 0.6 |
| Topological Polar Surface Area (TPSA) | 42.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 272.1637 Da |
| Heavy Atoms | 20 |
| Complexity | 383.0 |
| SMILES | C1CN2CC3(CN1CN(C3)C2)N=CC4=CC=CC=C4O |
| InChIKey | CDJMNHVBRIUUPX-UHFFFAOYSA-N |
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[(Z)-(1,3,6-triazatricyclo[4.3.1.1~3,8~]undec-8-ylimino)methyl]phenol. With a topological polar surface area (TPSA) of 42.3 Ų, 2-[(Z)-(1,3,6-triazatricyclo[4.3.1.1~3,8~]undec-8-ylimino)methyl]phenol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-[(Z)-(1,3,6-triazatricyclo[4.3.1.1~3,8~]undec-8-ylimino)methyl]phenol has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 2-[(Z)-(1,3,6-triazatricyclo[4.3.1.1~3,8~]undec-8-ylimino)methyl]phenol is 148122-16-1.
The molecular formula of 2-[(Z)-(1,3,6-triazatricyclo[4.3.1.1~3,8~]undec-8-ylimino)methyl]phenol is C15H20N4O.
The molecular weight of 2-[(Z)-(1,3,6-triazatricyclo[4.3.1.1~3,8~]undec-8-ylimino)methyl]phenol is 272.1637 g/mol.
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