4-Hexadecanoyl-3-methyl-1-phenyl-2-pyrazolin-5-one
TL;DR: 4-Hexadecanoyl-3-methyl-1-phenyl-2-pyrazolin-5-one (CAS 116655-21-1) is a chemical compound with molecular formula C26H40N2O2 and molecular weight 412.309 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-hexadecanoyl-5-methyl-2-phenyl-4H-pyrazol-3-one
Also Known As: 3-Methyl-4-palmitoyl-1-phenyl-1H-pyrazol-5(4H)-one, 4-hexadecanoyl-3-methyl-1-phenyl-2-pyrazolin-5-one, 4-hexadecanoyl-5-methyl-2-phenyl-4H-pyrazol-3-one, 4-Hexadecanoyl-3-methyl-1-phenyl-5(4H)-pyrazolone, 1-Phenyl-3-methyl-4-hexadecanoyl-2-pyrazolin-5-one
Technical Specifications
| Molecular Formula | C26H40N2O2 |
| Molecular Weight | 412.309 g/mol |
| XLogP | 8.6 |
| Topological Polar Surface Area (TPSA) | 49.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 16 |
| Exact Mass | 412.309 Da |
| Heavy Atoms | 30 |
| Complexity | 537.0 |
| SMILES | CCCCCCCCCCCCCCCC(=O)C1C(=NN(C1=O)C2=CC=CC=C2)C |
| InChIKey | BPBARANNQPPDJM-UHFFFAOYSA-N |
Chemical Property Profile of 4-Hexadecanoyl-3-methyl-1-phenyl-2-pyrazolin-5-one
Property Insights of 4-Hexadecanoyl-3-methyl-1-phenyl-2-pyrazolin-5-one
The XLogP value of 8.6 indicates that 4-Hexadecanoyl-3-methyl-1-phenyl-2-pyrazolin-5-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 49.7 Ų, 4-Hexadecanoyl-3-methyl-1-phenyl-2-pyrazolin-5-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Hexadecanoyl-3-methyl-1-phenyl-2-pyrazolin-5-one has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of 4-Hexadecanoyl-3-methyl-1-phenyl-2-pyrazolin-5-one?
The CAS number of 4-Hexadecanoyl-3-methyl-1-phenyl-2-pyrazolin-5-one is 116655-21-1.
What is the molecular formula of 4-Hexadecanoyl-3-methyl-1-phenyl-2-pyrazolin-5-one?
The molecular formula of 4-Hexadecanoyl-3-methyl-1-phenyl-2-pyrazolin-5-one is C26H40N2O2.
What is the molecular weight of 4-Hexadecanoyl-3-methyl-1-phenyl-2-pyrazolin-5-one?
The molecular weight of 4-Hexadecanoyl-3-methyl-1-phenyl-2-pyrazolin-5-one is 412.309 g/mol.
Where can I buy 4-Hexadecanoyl-3-methyl-1-phenyl-2-pyrazolin-5-one?
You can request a quote for 4-Hexadecanoyl-3-methyl-1-phenyl-2-pyrazolin-5-one directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-Hexadecanoyl-3-methyl-1-phenyl-2-pyrazolin-5-one?
Yes, CoreyChem provides custom synthesis services for 4-Hexadecanoyl-3-methyl-1-phenyl-2-pyrazolin-5-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.