![5-Tert-butyl-4-[(3,5-dibromo-4-hydroxyphenyl)methylidene]-2-phenylpyrazol-3-one structure](/static/products/104/1047724-31-1.webp)
5-Tert-butyl-4-[(3,5-dibromo-4-hydroxyphenyl)methylidene]-2-phenylpyrazol-3-one
TL;DR: 5-Tert-butyl-4-[(3,5-dibromo-4-hydroxyphenyl)methylidene]-2-phenylpyrazol-3-one (CAS 1047724-31-1) is a chemical compound with molecular formula C20H18Br2N2O2 and molecular weight 475.9735 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-tert-butyl-4-[(3,5-dibromo-4-hydroxyphenyl)methylidene]-2-phenylpyrazol-3-one
Also Known As: 4-((3,5-DIBROMO-4-HYDROXYPHENYL)METHYLENE)-3-(TERT-BUTYL)-1-PHENYL-2-PYRAZOLIN-5-ONE, 3-(tert-butyl)-4-[(Z)-(3,5-dibromo-4-hydroxyphenyl)methylidene]-1-phenyl-1H-pyrazol-5-one
Technical Specifications
| Molecular Formula | C20H18Br2N2O2 |
| Molecular Weight | 475.9735 g/mol |
| XLogP | 5.8 |
| Topological Polar Surface Area (TPSA) | 52.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 475.9735 Da |
| Heavy Atoms | 26 |
| Complexity | 593.0 |
| SMILES | CC(C)(C)C1=NN(C(=O)C1=CC2=CC(=C(C(=C2)Br)O)Br)C3=CC=CC=C3 |
| InChIKey | SKGCTQFMGWHXIQ-UHFFFAOYSA-N |
Chemical Property Profile of 5-Tert-butyl-4-[(3,5-dibromo-4-hydroxyphenyl)methylidene]-2-phenylpyrazol-3-one
Property Insights of 5-Tert-butyl-4-[(3,5-dibromo-4-hydroxyphenyl)methylidene]-2-phenylpyrazol-3-one
The XLogP value of 5.8 indicates that 5-Tert-butyl-4-[(3,5-dibromo-4-hydroxyphenyl)methylidene]-2-phenylpyrazol-3-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.9 Ų, 5-Tert-butyl-4-[(3,5-dibromo-4-hydroxyphenyl)methylidene]-2-phenylpyrazol-3-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Tert-butyl-4-[(3,5-dibromo-4-hydroxyphenyl)methylidene]-2-phenylpyrazol-3-one has 1 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 5-Tert-butyl-4-[(3,5-dibromo-4-hydroxyphenyl)methylidene]-2-phenylpyrazol-3-one?
The CAS number of 5-Tert-butyl-4-[(3,5-dibromo-4-hydroxyphenyl)methylidene]-2-phenylpyrazol-3-one is 1047724-31-1.
What is the molecular formula of 5-Tert-butyl-4-[(3,5-dibromo-4-hydroxyphenyl)methylidene]-2-phenylpyrazol-3-one?
The molecular formula of 5-Tert-butyl-4-[(3,5-dibromo-4-hydroxyphenyl)methylidene]-2-phenylpyrazol-3-one is C20H18Br2N2O2.
What is the molecular weight of 5-Tert-butyl-4-[(3,5-dibromo-4-hydroxyphenyl)methylidene]-2-phenylpyrazol-3-one?
The molecular weight of 5-Tert-butyl-4-[(3,5-dibromo-4-hydroxyphenyl)methylidene]-2-phenylpyrazol-3-one is 475.9735 g/mol.
Where can I buy 5-Tert-butyl-4-[(3,5-dibromo-4-hydroxyphenyl)methylidene]-2-phenylpyrazol-3-one?
You can request a quote for 5-Tert-butyl-4-[(3,5-dibromo-4-hydroxyphenyl)methylidene]-2-phenylpyrazol-3-one directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 5-Tert-butyl-4-[(3,5-dibromo-4-hydroxyphenyl)methylidene]-2-phenylpyrazol-3-one?
Yes, CoreyChem provides custom synthesis services for 5-Tert-butyl-4-[(3,5-dibromo-4-hydroxyphenyl)methylidene]-2-phenylpyrazol-3-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.