1-(tert-butyl)-3-methyl-4-tosyl-1H-pyrazol-5-yl benzoate
TL;DR: 1-(tert-butyl)-3-methyl-4-tosyl-1H-pyrazol-5-yl benzoate (CAS 851082-39-8) is a chemical compound with molecular formula C22H24N2O4S and molecular weight 412.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[1-tert-butyl-3-methyl-4-(4-methylphenyl)sulfonylpyrazol-5-yl] benzoate
Also Known As: VU0488536-1, 1-tert-butyl-3-methyl-4-(4-methylbenzenesulfonyl)-1H-pyrazol-5-yl benzoate, 1-(tert-butyl)-3-methyl-4-tosyl-1H-pyrazol-5-yl benzoate, F0605-0130, [2-tert-butyl-5-methyl-4-(4-methylphenyl)sulfonylpyrazol-3-yl] benzoate
| Molecular Formula | C22H24N2O4S |
|---|---|
| Molecular Weight | 412.15 g/mol |
| LogP | 4.30694 |
| Topological Polar Surface Area | 78.26 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 412.1457 |
| Heavy Atoms | 29 |
| Complexity | 1140.0181 |
Chemical Identifiers
| CAS Number | 851082-39-8 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)C2=C(N(N=C2C)C(C)(C)C)OC(=O)C3=CC=CC=C3 |
Product Overview
1-(tert-butyl)-3-methyl-4-tosyl-1H-pyrazol-5-yl benzoate (CAS 851082-39-8), with molecular formula C22H24N2O4S and molecular weight 412.15 g/mol. IUPAC: [1-tert-butyl-3-methyl-4-(4-methylphenyl)sulfonylpyrazol-5-yl] benzoate.
Chemical Property Profile of 1-(tert-butyl)-3-methyl-4-tosyl-1H-pyrazol-5-yl benzoate
Property Insights of 1-(tert-butyl)-3-methyl-4-tosyl-1H-pyrazol-5-yl benzoate
The XLogP value of 4.30694 indicates that 1-(tert-butyl)-3-methyl-4-tosyl-1H-pyrazol-5-yl benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.26 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(tert-butyl)-3-methyl-4-tosyl-1H-pyrazol-5-yl benzoate. Following Lipinski's Rule of Five, 1-(tert-butyl)-3-methyl-4-tosyl-1H-pyrazol-5-yl benzoate has 0 hydrogen bond donor(s) and 5 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 1-(tert-butyl)-3-methyl-4-tosyl-1H-pyrazol-5-yl benzoate?
The CAS number of 1-(tert-butyl)-3-methyl-4-tosyl-1H-pyrazol-5-yl benzoate is 851082-39-8.
What is the molecular formula of 1-(tert-butyl)-3-methyl-4-tosyl-1H-pyrazol-5-yl benzoate?
The molecular formula of 1-(tert-butyl)-3-methyl-4-tosyl-1H-pyrazol-5-yl benzoate is C22H24N2O4S.
What is the molecular weight of 1-(tert-butyl)-3-methyl-4-tosyl-1H-pyrazol-5-yl benzoate?
The molecular weight of 1-(tert-butyl)-3-methyl-4-tosyl-1H-pyrazol-5-yl benzoate is 412.15 g/mol.
Where can I buy 1-(tert-butyl)-3-methyl-4-tosyl-1H-pyrazol-5-yl benzoate?
You can request a quote for 1-(tert-butyl)-3-methyl-4-tosyl-1H-pyrazol-5-yl benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(tert-butyl)-3-methyl-4-tosyl-1H-pyrazol-5-yl benzoate?
Yes, KEHONG BIO provides custom synthesis services for 1-(tert-butyl)-3-methyl-4-tosyl-1H-pyrazol-5-yl benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.