TL;DR: (N,N'-propylenebis(2-pyrrolylmethyleneaminato))nickel(II) (CAS 15158-90-4) is a chemical compound with molecular formula C13H14N4Ni and molecular weight 284.0572 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
nickel(2+);1-pyrrol-1-id-2-yl-N-[3-(pyrrol-1-id-2-ylmethylideneamino)propyl]methanimine
Also Known As: Pbpban, (N,N'-Propylenebis(2-pyrrolylmethyleneaminato))nickel(II), (N,N/'-propylenebis(2-pyrrolylmethyleneaminato))nickel(II), Nickel, (N,N'-bis(1H-pyrrol-2-ylmethylene)-1,3-propanediaminato(2-)-N,N',N'',N''')-, (SP-4-2)-, nickel(2+);1-pyrrol-1-id-2-yl-N-[3-(pyrrol-1-id-2-ylmethylideneamino)propyl]methanimine
| Molecular Formula | C13H14N4Ni |
| Molecular Weight | 284.0572 g/mol |
| XLogP | 1.5266 |
| Topological Polar Surface Area (TPSA) | 26.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 284.0572 Da |
| Heavy Atoms | 18 |
| Complexity | 236.0 |
| SMILES | C1=C[N-]C(=C1)C=NCCCN=CC2=CC=C[N-]2.[Ni+2] |
| InChIKey | VZMUCBCYODPERU-UHFFFAOYSA-N |
The XLogP value of 1.5266 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (N,N'-propylenebis(2-pyrrolylmethyleneaminato))nickel(II). With a topological polar surface area (TPSA) of 26.7 Ų, (N,N'-propylenebis(2-pyrrolylmethyleneaminato))nickel(II) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (N,N'-propylenebis(2-pyrrolylmethyleneaminato))nickel(II) has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of (N,N'-propylenebis(2-pyrrolylmethyleneaminato))nickel(II) is 15158-90-4.
The molecular formula of (N,N'-propylenebis(2-pyrrolylmethyleneaminato))nickel(II) is C13H14N4Ni.
The molecular weight of (N,N'-propylenebis(2-pyrrolylmethyleneaminato))nickel(II) is 284.0572 g/mol.
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