1-(tert-butyl)-3-methyl-4-tosyl-1H-pyrazol-5-yl 2-ethylbutanoate
TL;DR: 1-(tert-butyl)-3-methyl-4-tosyl-1H-pyrazol-5-yl 2-ethylbutanoate (CAS 851082-29-6) is a chemical compound with molecular formula C21H30N2O4S and molecular weight 406.19 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] 2-ethylbutanoate
Also Known As: VU0488534-1, 1-(tert-butyl)-3-methyl-4-tosyl-1H-pyrazol-5-yl 2-ethylbutanoate, F0605-0119, [2-tert-butyl-5-methyl-4-(4-methylphenyl)sulfonylpyrazol-3-yl] 2-ethylbutanoate, [5-methyl-4-(4-methylphenyl)sulfonyl-2-tert-butyl-pyrazol-3-yl] 2-ethylbutanoate
| Molecular Formula | C21H30N2O4S |
|---|---|
| Molecular Weight | 406.19 g/mol |
| LogP | 4.42934 |
| Topological Polar Surface Area | 78.26 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 406.19263 |
| Heavy Atoms | 28 |
| Complexity | 947.52716 |
Chemical Identifiers
| CAS Number | 851082-29-6 |
|---|---|
| SMILES | CCC(CC)C(=O)OC1=C(C(=NN1C(C)(C)C)C)S(=O)(=O)C2=CC=C(C=C2)C |
Product Overview
1-(tert-butyl)-3-methyl-4-tosyl-1H-pyrazol-5-yl 2-ethylbutanoate (CAS 851082-29-6), with molecular formula C21H30N2O4S and molecular weight 406.19 g/mol. IUPAC: [1-tert-butyl-3-methyl-4-(4-methylphenyl)sulfonylpyrazol-5-yl] 2-ethylbutanoate.
Chemical Property Profile of 1-(tert-butyl)-3-methyl-4-tosyl-1H-pyrazol-5-yl 2-ethylbutanoate
Property Insights of 1-(tert-butyl)-3-methyl-4-tosyl-1H-pyrazol-5-yl 2-ethylbutanoate
The XLogP value of 4.42934 indicates that 1-(tert-butyl)-3-methyl-4-tosyl-1H-pyrazol-5-yl 2-ethylbutanoate 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 2-ethylbutanoate. Following Lipinski's Rule of Five, 1-(tert-butyl)-3-methyl-4-tosyl-1H-pyrazol-5-yl 2-ethylbutanoate 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 2-ethylbutanoate?
The CAS number of 1-(tert-butyl)-3-methyl-4-tosyl-1H-pyrazol-5-yl 2-ethylbutanoate is 851082-29-6.
What is the molecular formula of 1-(tert-butyl)-3-methyl-4-tosyl-1H-pyrazol-5-yl 2-ethylbutanoate?
The molecular formula of 1-(tert-butyl)-3-methyl-4-tosyl-1H-pyrazol-5-yl 2-ethylbutanoate is C21H30N2O4S.
What is the molecular weight of 1-(tert-butyl)-3-methyl-4-tosyl-1H-pyrazol-5-yl 2-ethylbutanoate?
The molecular weight of 1-(tert-butyl)-3-methyl-4-tosyl-1H-pyrazol-5-yl 2-ethylbutanoate is 406.19 g/mol.
Where can I buy 1-(tert-butyl)-3-methyl-4-tosyl-1H-pyrazol-5-yl 2-ethylbutanoate?
You can request a quote for 1-(tert-butyl)-3-methyl-4-tosyl-1H-pyrazol-5-yl 2-ethylbutanoate 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 2-ethylbutanoate?
Yes, KEHONG BIO provides custom synthesis services for 1-(tert-butyl)-3-methyl-4-tosyl-1H-pyrazol-5-yl 2-ethylbutanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.