4-(1,3-Benzodioxol-5-ylmethylidene)-5-tert-butyl-2-phenylpyrazol-3-one
TL;DR: 4-(1,3-Benzodioxol-5-ylmethylidene)-5-tert-butyl-2-phenylpyrazol-3-one (CAS 1024790-34-8) is a chemical compound with molecular formula C21H20N2O3 and molecular weight 348.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(1,3-benzodioxol-5-ylmethylidene)-5-tert-butyl-2-phenylpyrazol-3-one
Also Known As: 4-(1,3-benzodioxol-5-ylmethylidene)-5-tert-butyl-2-phenylpyrazol-3-one, 4-(BENZO[3,4-D]1,3-DIOXOLEN-5-YLMETHYLENE)-3-(TERT-BUTYL)-1-PHENYL-2-PYRAZOLIN-5-ONE, (Z)-4-(benzo[d][1,3]dioxol-5-ylmethylene)-3-tert-butyl-1-phenyl-1H-pyrazol-5(4H)-one, 4-(1,3-benzodioxol-5-ylmethylene)-5-tert-butyl-2-phenyl-pyrazol-3-one, 4-(benzo[1,3]dioxol-5-ylmethylidene)-2-phenyl-5-tert-butyl-pyrazol-3-one
| Molecular Formula | C21H20N2O3 |
|---|---|
| Molecular Weight | 348.15 g/mol |
| LogP | 4.2476 |
| Topological Polar Surface Area | 51.13 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 348.1474 |
| Heavy Atoms | 26 |
| Complexity | 924.0175 |
Chemical Identifiers
| CAS Number | 1024790-34-8 |
|---|---|
| SMILES | CC(C)(C)C1=NN(C(=O)C1=CC2=CC3=C(C=C2)OCO3)C4=CC=CC=C4 |
Product Overview
4-(1,3-Benzodioxol-5-ylmethylidene)-5-tert-butyl-2-phenylpyrazol-3-one (CAS 1024790-34-8), with molecular formula C21H20N2O3 and molecular weight 348.15 g/mol. IUPAC: 4-(1,3-benzodioxol-5-ylmethylidene)-5-tert-butyl-2-phenylpyrazol-3-one.
Chemical Property Profile of 4-(1,3-Benzodioxol-5-ylmethylidene)-5-tert-butyl-2-phenylpyrazol-3-one
Property Insights of 4-(1,3-Benzodioxol-5-ylmethylidene)-5-tert-butyl-2-phenylpyrazol-3-one
The XLogP value of 4.2476 indicates that 4-(1,3-Benzodioxol-5-ylmethylidene)-5-tert-butyl-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 51.13 Ų, 4-(1,3-Benzodioxol-5-ylmethylidene)-5-tert-butyl-2-phenylpyrazol-3-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(1,3-Benzodioxol-5-ylmethylidene)-5-tert-butyl-2-phenylpyrazol-3-one has 0 hydrogen bond donor(s) and 4 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 4-(1,3-Benzodioxol-5-ylmethylidene)-5-tert-butyl-2-phenylpyrazol-3-one?
The CAS number of 4-(1,3-Benzodioxol-5-ylmethylidene)-5-tert-butyl-2-phenylpyrazol-3-one is 1024790-34-8.
What is the molecular formula of 4-(1,3-Benzodioxol-5-ylmethylidene)-5-tert-butyl-2-phenylpyrazol-3-one?
The molecular formula of 4-(1,3-Benzodioxol-5-ylmethylidene)-5-tert-butyl-2-phenylpyrazol-3-one is C21H20N2O3.
What is the molecular weight of 4-(1,3-Benzodioxol-5-ylmethylidene)-5-tert-butyl-2-phenylpyrazol-3-one?
The molecular weight of 4-(1,3-Benzodioxol-5-ylmethylidene)-5-tert-butyl-2-phenylpyrazol-3-one is 348.15 g/mol.
Where can I buy 4-(1,3-Benzodioxol-5-ylmethylidene)-5-tert-butyl-2-phenylpyrazol-3-one?
You can request a quote for 4-(1,3-Benzodioxol-5-ylmethylidene)-5-tert-butyl-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 4-(1,3-Benzodioxol-5-ylmethylidene)-5-tert-butyl-2-phenylpyrazol-3-one?
Yes, KEHONG BIO provides custom synthesis services for 4-(1,3-Benzodioxol-5-ylmethylidene)-5-tert-butyl-2-phenylpyrazol-3-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.