TL;DR: N-(1-Octyl-4(1H)-pyridinylidene)-1-octanamine (CAS 103923-27-9) is a chemical compound with molecular formula C21H38N2 and molecular weight 318.3035 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N,1-dioctylpyridin-4-imine
Also Known As: Pirtenidine, Pirtenidina, Pirtenidinum, Phosphomycin sodium, Pirtenidine [INN]
Top 5 of 3 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C21H38N2 |
| Molecular Weight | 318.3035 g/mol |
| XLogP | 7.2 |
| Topological Polar Surface Area (TPSA) | 15.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 14 |
| Exact Mass | 318.3035 Da |
| Heavy Atoms | 23 |
| Complexity | 339.0 |
| SMILES | CCCCCCCCN=C1C=CN(C=C1)CCCCCCCC |
| InChIKey | RGTPDNXJDCPXAB-UHFFFAOYSA-N |
The XLogP value of 7.2 indicates that N-(1-Octyl-4(1H)-pyridinylidene)-1-octanamine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 15.6 Ų, N-(1-Octyl-4(1H)-pyridinylidene)-1-octanamine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(1-Octyl-4(1H)-pyridinylidene)-1-octanamine has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of N-(1-Octyl-4(1H)-pyridinylidene)-1-octanamine is 103923-27-9.
The molecular formula of N-(1-Octyl-4(1H)-pyridinylidene)-1-octanamine is C21H38N2.
The molecular weight of N-(1-Octyl-4(1H)-pyridinylidene)-1-octanamine is 318.3035 g/mol.
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