![3-(1,3-benzodioxol-5-yl)-1-[4-(tert-butyl)benzyl]-1H-pyrazole structure](/static/products/956/956961-84-5.png)
3-(1,3-benzodioxol-5-yl)-1-[4-(tert-butyl)benzyl]-1H-pyrazole
TL;DR: 3-(1,3-benzodioxol-5-yl)-1-[4-(tert-butyl)benzyl]-1H-pyrazole (CAS 956961-84-5) is a chemical compound with molecular formula C21H22N2O2 and molecular weight 334.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(1,3-benzodioxol-5-yl)-1-[(4-tert-butylphenyl)methyl]pyrazole
Also Known As: 3-(1,3-benzodioxol-5-yl)-1-[4-(tert-butyl)benzyl]-1H-pyrazole, 3-(1,3-benzodioxol-5-yl)-1-[(4-tert-butylphenyl)methyl]pyrazole, 3-(2H-1,3-benzodioxol-5-yl)-1-[(4-tert-butylphenyl)methyl]-1H-pyrazole, 3-(1,3-benzodioxol-5-yl)-1-(4-tert-butylbenzyl)pyrazole, 3-(2H-1,3-benzodioxol-5-yl)-1-[(4-tert-butylphenyl)methyl]pyrazole
| Molecular Formula | C21H22N2O2 |
|---|---|
| Molecular Weight | 334.17 g/mol |
| LogP | 4.6246 |
| Topological Polar Surface Area | 36.28 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 334.16812 |
| Heavy Atoms | 25 |
| Complexity | 889.0047 |
Chemical Identifiers
| CAS Number | 956961-84-5 |
|---|---|
| SMILES | CC(C)(C)C1=CC=C(C=C1)CN2C=CC(=N2)C3=CC4=C(C=C3)OCO4 |
Product Overview
3-(1,3-benzodioxol-5-yl)-1-[4-(tert-butyl)benzyl]-1H-pyrazole (CAS 956961-84-5), with molecular formula C21H22N2O2 and molecular weight 334.17 g/mol. IUPAC: 3-(1,3-benzodioxol-5-yl)-1-[(4-tert-butylphenyl)methyl]pyrazole.
Chemical Property Profile of 3-(1,3-benzodioxol-5-yl)-1-[4-(tert-butyl)benzyl]-1H-pyrazole
Property Insights of 3-(1,3-benzodioxol-5-yl)-1-[4-(tert-butyl)benzyl]-1H-pyrazole
The XLogP value of 4.6246 indicates that 3-(1,3-benzodioxol-5-yl)-1-[4-(tert-butyl)benzyl]-1H-pyrazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 36.28 Ų, 3-(1,3-benzodioxol-5-yl)-1-[4-(tert-butyl)benzyl]-1H-pyrazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(1,3-benzodioxol-5-yl)-1-[4-(tert-butyl)benzyl]-1H-pyrazole has 0 hydrogen bond donor(s) and 3 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-(1,3-benzodioxol-5-yl)-1-[4-(tert-butyl)benzyl]-1H-pyrazole?
The CAS number of 3-(1,3-benzodioxol-5-yl)-1-[4-(tert-butyl)benzyl]-1H-pyrazole is 956961-84-5.
What is the molecular formula of 3-(1,3-benzodioxol-5-yl)-1-[4-(tert-butyl)benzyl]-1H-pyrazole?
The molecular formula of 3-(1,3-benzodioxol-5-yl)-1-[4-(tert-butyl)benzyl]-1H-pyrazole is C21H22N2O2.
What is the molecular weight of 3-(1,3-benzodioxol-5-yl)-1-[4-(tert-butyl)benzyl]-1H-pyrazole?
The molecular weight of 3-(1,3-benzodioxol-5-yl)-1-[4-(tert-butyl)benzyl]-1H-pyrazole is 334.17 g/mol.
Where can I buy 3-(1,3-benzodioxol-5-yl)-1-[4-(tert-butyl)benzyl]-1H-pyrazole?
You can request a quote for 3-(1,3-benzodioxol-5-yl)-1-[4-(tert-butyl)benzyl]-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-(1,3-benzodioxol-5-yl)-1-[4-(tert-butyl)benzyl]-1H-pyrazole?
Yes, KEHONG BIO provides custom synthesis services for 3-(1,3-benzodioxol-5-yl)-1-[4-(tert-butyl)benzyl]-1H-pyrazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.