![5-Tert-butyl-4-[(6-nitro-1,3-benzodioxol-5-yl)methylidene]-2-phenylpyrazol-3-one structure](/static/products/1024/1024729-10-9.webp)
5-Tert-butyl-4-[(6-nitro-1,3-benzodioxol-5-yl)methylidene]-2-phenylpyrazol-3-one
TL;DR: 5-Tert-butyl-4-[(6-nitro-1,3-benzodioxol-5-yl)methylidene]-2-phenylpyrazol-3-one (CAS 1024729-10-9) is a chemical compound with molecular formula C21H19N3O5 and molecular weight 393.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-tert-butyl-4-[(6-nitro-1,3-benzodioxol-5-yl)methylidene]-2-phenylpyrazol-3-one
Also Known As: 3-(TERT-BUTYL)-4-((6-NITROBENZO[3,4-D]1,3-DIOXOLEN-5-YL)METHYLENE)-1-PHENYL-2-PYRAZOLIN-5-ONE, 5-tert-butyl-4-[(6-nitro-1,3-benzodioxol-5-yl)methylidene]-2-phenylpyrazol-3-one, 4-[(6-nitrobenzo[1,3]dioxol-5-yl)methylidene]-2-phenyl-5-tert-butyl-pyrazol-3-one, 5-tert-butyl-4-[(6-nitro-1,3-benzodioxol-5-yl)methylene]-2-phenyl-pyrazol-3-one, 3-tert-butyl-4-[(6-nitro-2H-1,3-benzodioxol-5-yl)methylidene]-1-phenyl-4,5-dihydro-1H-pyrazol-5-one
| Molecular Formula | C21H19N3O5 |
|---|---|
| Molecular Weight | 393.13 g/mol |
| LogP | 4.1558 |
| Topological Polar Surface Area | 94.27 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 393.13248 |
| Heavy Atoms | 29 |
| Complexity | 1067.7145 |
Chemical Identifiers
| CAS Number | 1024729-10-9 |
|---|---|
| SMILES | CC(C)(C)C1=NN(C(=O)C1=CC2=CC3=C(C=C2[N+](=O)[O-])OCO3)C4=CC=CC=C4 |
Product Overview
5-Tert-butyl-4-[(6-nitro-1,3-benzodioxol-5-yl)methylidene]-2-phenylpyrazol-3-one (CAS 1024729-10-9), with molecular formula C21H19N3O5 and molecular weight 393.13 g/mol. IUPAC: 5-tert-butyl-4-[(6-nitro-1,3-benzodioxol-5-yl)methylidene]-2-phenylpyrazol-3-one.
Chemical Property Profile of 5-Tert-butyl-4-[(6-nitro-1,3-benzodioxol-5-yl)methylidene]-2-phenylpyrazol-3-one
Property Insights of 5-Tert-butyl-4-[(6-nitro-1,3-benzodioxol-5-yl)methylidene]-2-phenylpyrazol-3-one
The XLogP value of 4.1558 indicates that 5-Tert-butyl-4-[(6-nitro-1,3-benzodioxol-5-yl)methylidene]-2-phenylpyrazol-3-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 94.27 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Tert-butyl-4-[(6-nitro-1,3-benzodioxol-5-yl)methylidene]-2-phenylpyrazol-3-one. Following Lipinski's Rule of Five, 5-Tert-butyl-4-[(6-nitro-1,3-benzodioxol-5-yl)methylidene]-2-phenylpyrazol-3-one has 0 hydrogen bond donor(s) and 6 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 5-Tert-butyl-4-[(6-nitro-1,3-benzodioxol-5-yl)methylidene]-2-phenylpyrazol-3-one?
The CAS number of 5-Tert-butyl-4-[(6-nitro-1,3-benzodioxol-5-yl)methylidene]-2-phenylpyrazol-3-one is 1024729-10-9.
What is the molecular formula of 5-Tert-butyl-4-[(6-nitro-1,3-benzodioxol-5-yl)methylidene]-2-phenylpyrazol-3-one?
The molecular formula of 5-Tert-butyl-4-[(6-nitro-1,3-benzodioxol-5-yl)methylidene]-2-phenylpyrazol-3-one is C21H19N3O5.
What is the molecular weight of 5-Tert-butyl-4-[(6-nitro-1,3-benzodioxol-5-yl)methylidene]-2-phenylpyrazol-3-one?
The molecular weight of 5-Tert-butyl-4-[(6-nitro-1,3-benzodioxol-5-yl)methylidene]-2-phenylpyrazol-3-one is 393.13 g/mol.
Where can I buy 5-Tert-butyl-4-[(6-nitro-1,3-benzodioxol-5-yl)methylidene]-2-phenylpyrazol-3-one?
You can request a quote for 5-Tert-butyl-4-[(6-nitro-1,3-benzodioxol-5-yl)methylidene]-2-phenylpyrazol-3-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Tert-butyl-4-[(6-nitro-1,3-benzodioxol-5-yl)methylidene]-2-phenylpyrazol-3-one?
Yes, KEHONG BIO provides custom synthesis services for 5-Tert-butyl-4-[(6-nitro-1,3-benzodioxol-5-yl)methylidene]-2-phenylpyrazol-3-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.