n-Pentasilane
TL;DR: n-Pentasilane (CAS 148680-50-6) is a chemical compound with molecular formula C22H24N6O and molecular weight 388.20117 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-phenyl-5-[(4-phenylpiperazin-1-yl)methyl]-3,3a-dihydropyrazolo[1,5-d][1,2,4]triazin-4-one
Also Known As: n-Pentasilane, Pyrazolo(1,5-d)(1,2,4)triazin-4(5H)-one, 3,3a-dihydro-2-phenyl-5-((4-phenyl-1-piperazinyl)methyl)-, 2-Phenyl-3,3a-dihydro-4-oxo-5-(4-phenylpiperazin-1-yl)methylpyrazol(1,5-d)(1,2,4)triazine, 2-phenyl-5-[(4-phenylpiperazin-1-yl)methyl]-3,3a-dihydropyrazolo[1,5-d][1,2,4]triazin-4-one, 2-Phenyl-5-(4-phenylpiperazinomethyl)-3,3a-dihydropyrazolo[1,5-d][1,2,4]triazin-4(5H)-one
Technical Specifications
| Molecular Formula | C22H24N6O |
| Molecular Weight | 388.20117 g/mol |
| XLogP | 2.5 |
| Topological Polar Surface Area (TPSA) | 54.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 388.20117 Da |
| Heavy Atoms | 29 |
| Complexity | 644.0 |
| SMILES | C1CN(CCN1CN2C(=O)C3CC(=NN3C=N2)C4=CC=CC=C4)C5=CC=CC=C5 |
| InChIKey | IBASSEBBTDREBT-UHFFFAOYSA-N |
Chemical Property Profile of n-Pentasilane
Property Insights of n-Pentasilane
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for n-Pentasilane. With a topological polar surface area (TPSA) of 54.8 Ų, n-Pentasilane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, n-Pentasilane has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of n-Pentasilane?
The CAS number of n-Pentasilane is 148680-50-6.
What is the molecular formula of n-Pentasilane?
The molecular formula of n-Pentasilane is C22H24N6O.
What is the molecular weight of n-Pentasilane?
The molecular weight of n-Pentasilane is 388.20117 g/mol.
Where can I buy n-Pentasilane?
You can request a quote for n-Pentasilane directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for n-Pentasilane?
Yes, CoreyChem provides custom synthesis services for n-Pentasilane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.