3,5-ditert-butyl-1-(2,2-dimethylpropanoyl)-1H-pyrazole
TL;DR: 3,5-ditert-butyl-1-(2,2-dimethylpropanoyl)-1H-pyrazole (CAS 155688-76-9) is a chemical compound with molecular formula C16H28N2O and molecular weight 264.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(3,5-ditert-butylpyrazol-1-yl)-2,2-dimethylpropan-1-one
Also Known As: AR-360/42760355, 3,5-ditert-butyl-1-(2,2-dimethylpropanoyl)-1H-pyrazole, 1-(3,5-ditert-butylpyrazol-1-yl)-2,2-dimethylpropan-1-one
| Molecular Formula | C16H28N2O |
|---|---|
| Molecular Weight | 264.22 g/mol |
| LogP | 4.1644 |
| Topological Polar Surface Area | 34.89 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 264.22015 |
| Heavy Atoms | 19 |
| Complexity | 476.31793 |
Chemical Identifiers
| CAS Number | 155688-76-9 |
|---|---|
| SMILES | CC(C)(C)C1=CC(=NN1C(=O)C(C)(C)C)C(C)(C)C |
Product Overview
3,5-ditert-butyl-1-(2,2-dimethylpropanoyl)-1H-pyrazole (CAS 155688-76-9), with molecular formula C16H28N2O and molecular weight 264.22 g/mol. IUPAC: 1-(3,5-ditert-butylpyrazol-1-yl)-2,2-dimethylpropan-1-one.
Chemical Property Profile of 3,5-ditert-butyl-1-(2,2-dimethylpropanoyl)-1H-pyrazole
Property Insights of 3,5-ditert-butyl-1-(2,2-dimethylpropanoyl)-1H-pyrazole
The XLogP value of 4.1644 indicates that 3,5-ditert-butyl-1-(2,2-dimethylpropanoyl)-1H-pyrazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 34.89 Ų, 3,5-ditert-butyl-1-(2,2-dimethylpropanoyl)-1H-pyrazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,5-ditert-butyl-1-(2,2-dimethylpropanoyl)-1H-pyrazole has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3,5-ditert-butyl-1-(2,2-dimethylpropanoyl)-1H-pyrazole?
The CAS number of 3,5-ditert-butyl-1-(2,2-dimethylpropanoyl)-1H-pyrazole is 155688-76-9.
What is the molecular formula of 3,5-ditert-butyl-1-(2,2-dimethylpropanoyl)-1H-pyrazole?
The molecular formula of 3,5-ditert-butyl-1-(2,2-dimethylpropanoyl)-1H-pyrazole is C16H28N2O.
What is the molecular weight of 3,5-ditert-butyl-1-(2,2-dimethylpropanoyl)-1H-pyrazole?
The molecular weight of 3,5-ditert-butyl-1-(2,2-dimethylpropanoyl)-1H-pyrazole is 264.22 g/mol.
Where can I buy 3,5-ditert-butyl-1-(2,2-dimethylpropanoyl)-1H-pyrazole?
You can request a quote for 3,5-ditert-butyl-1-(2,2-dimethylpropanoyl)-1H-pyrazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,5-ditert-butyl-1-(2,2-dimethylpropanoyl)-1H-pyrazole?
Yes, KEHONG BIO provides custom synthesis services for 3,5-ditert-butyl-1-(2,2-dimethylpropanoyl)-1H-pyrazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.