![[5-(1,3-benzodioxol-5-yl)-1H-pyrazol-1-yl][4-(tert-butyl)phenyl]methanone structure](/static/products/956/956181-72-9.png)
[5-(1,3-benzodioxol-5-yl)-1H-pyrazol-1-yl][4-(tert-butyl)phenyl]methanone
TL;DR: [5-(1,3-benzodioxol-5-yl)-1H-pyrazol-1-yl][4-(tert-butyl)phenyl]methanone (CAS 956181-72-9) 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.
[5-(1,3-benzodioxol-5-yl)pyrazol-1-yl]-(4-tert-butylphenyl)methanone
Also Known As: 5T-0230, [5-(1,3-benzodioxol-5-yl)-1H-pyrazol-1-yl][4-(tert-butyl)phenyl]methanone, 5-(2H-1,3-benzodioxol-5-yl)-1-(4-tert-butylbenzoyl)-1H-pyrazole, [5-(1,3-benzodioxol-5-yl)pyrazol-1-yl]-(4-tert-butylphenyl)methanone, (5-benzo[1,3]dioxol-5-ylpyrazol-1-yl)-(4-tert-butylphenyl)methanone
| Molecular Formula | C21H20N2O3 |
|---|---|
| Molecular Weight | 348.15 g/mol |
| LogP | 4.2648 |
| Topological Polar Surface Area | 53.35 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 348.1474 |
| Heavy Atoms | 26 |
| Complexity | 965.66644 |
Chemical Identifiers
| CAS Number | 956181-72-9 |
|---|---|
| SMILES | CC(C)(C)C1=CC=C(C=C1)C(=O)N2C(=CC=N2)C3=CC4=C(C=C3)OCO4 |
Product Overview
[5-(1,3-benzodioxol-5-yl)-1H-pyrazol-1-yl][4-(tert-butyl)phenyl]methanone (CAS 956181-72-9), with molecular formula C21H20N2O3 and molecular weight 348.15 g/mol. IUPAC: [5-(1,3-benzodioxol-5-yl)pyrazol-1-yl]-(4-tert-butylphenyl)methanone.
Chemical Property Profile of [5-(1,3-benzodioxol-5-yl)-1H-pyrazol-1-yl][4-(tert-butyl)phenyl]methanone
Property Insights of [5-(1,3-benzodioxol-5-yl)-1H-pyrazol-1-yl][4-(tert-butyl)phenyl]methanone
The XLogP value of 4.2648 indicates that [5-(1,3-benzodioxol-5-yl)-1H-pyrazol-1-yl][4-(tert-butyl)phenyl]methanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 53.35 Ų, [5-(1,3-benzodioxol-5-yl)-1H-pyrazol-1-yl][4-(tert-butyl)phenyl]methanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, [5-(1,3-benzodioxol-5-yl)-1H-pyrazol-1-yl][4-(tert-butyl)phenyl]methanone 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 [5-(1,3-benzodioxol-5-yl)-1H-pyrazol-1-yl][4-(tert-butyl)phenyl]methanone?
The CAS number of [5-(1,3-benzodioxol-5-yl)-1H-pyrazol-1-yl][4-(tert-butyl)phenyl]methanone is 956181-72-9.
What is the molecular formula of [5-(1,3-benzodioxol-5-yl)-1H-pyrazol-1-yl][4-(tert-butyl)phenyl]methanone?
The molecular formula of [5-(1,3-benzodioxol-5-yl)-1H-pyrazol-1-yl][4-(tert-butyl)phenyl]methanone is C21H20N2O3.
What is the molecular weight of [5-(1,3-benzodioxol-5-yl)-1H-pyrazol-1-yl][4-(tert-butyl)phenyl]methanone?
The molecular weight of [5-(1,3-benzodioxol-5-yl)-1H-pyrazol-1-yl][4-(tert-butyl)phenyl]methanone is 348.15 g/mol.
Where can I buy [5-(1,3-benzodioxol-5-yl)-1H-pyrazol-1-yl][4-(tert-butyl)phenyl]methanone?
You can request a quote for [5-(1,3-benzodioxol-5-yl)-1H-pyrazol-1-yl][4-(tert-butyl)phenyl]methanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [5-(1,3-benzodioxol-5-yl)-1H-pyrazol-1-yl][4-(tert-butyl)phenyl]methanone?
Yes, KEHONG BIO provides custom synthesis services for [5-(1,3-benzodioxol-5-yl)-1H-pyrazol-1-yl][4-(tert-butyl)phenyl]methanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.