1-(tert-butyl)-3-methyl-4-tosyl-1H-pyrazol-5-yl 3,4,5-triethoxybenzoate
TL;DR: 1-(tert-butyl)-3-methyl-4-tosyl-1H-pyrazol-5-yl 3,4,5-triethoxybenzoate (CAS 851082-70-7) is a chemical compound with molecular formula C28H36N2O7S and molecular weight 544.22 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] 3,4,5-triethoxybenzoate
Also Known As: F0605-0170, 1-(tert-butyl)-3-methyl-4-tosyl-1H-pyrazol-5-yl 3,4,5-triethoxybenzoate, [2-tert-butyl-5-methyl-4-(4-methylphenyl)sulfonylpyrazol-3-yl] 3,4,5-triethoxybenzoate, [5-methyl-4-(4-methylphenyl)sulfonyl-2-tert-butyl-pyrazol-3-yl] 3,4,5-triethoxybenzoate, 1-TERT-BUTYL-3-METHYL-4-(4-METHYLBENZENESULFONYL)-1H-PYRAZOL-5-YL 3,4,5-TRIETHOXYBENZOATE
| Molecular Formula | C28H36N2O7S |
|---|---|
| Molecular Weight | 544.22 g/mol |
| LogP | 5.50304 |
| Topological Polar Surface Area | 105.95 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 10 |
| Exact Mass | 544.2243 |
| Heavy Atoms | 38 |
| Complexity | 1375.1843 |
Chemical Identifiers
| CAS Number | 851082-70-7 |
|---|---|
| SMILES | CCOC1=CC(=CC(=C1OCC)OCC)C(=O)OC2=C(C(=NN2C(C)(C)C)C)S(=O)(=O)C3=CC=C(C=C3)C |
Product Overview
1-(tert-butyl)-3-methyl-4-tosyl-1H-pyrazol-5-yl 3,4,5-triethoxybenzoate (CAS 851082-70-7), with molecular formula C28H36N2O7S and molecular weight 544.22 g/mol. IUPAC: [1-tert-butyl-3-methyl-4-(4-methylphenyl)sulfonylpyrazol-5-yl] 3,4,5-triethoxybenzoate.
Chemical Property Profile of 1-(tert-butyl)-3-methyl-4-tosyl-1H-pyrazol-5-yl 3,4,5-triethoxybenzoate
Property Insights of 1-(tert-butyl)-3-methyl-4-tosyl-1H-pyrazol-5-yl 3,4,5-triethoxybenzoate
The XLogP value of 5.50304 indicates that 1-(tert-butyl)-3-methyl-4-tosyl-1H-pyrazol-5-yl 3,4,5-triethoxybenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 105.95 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(tert-butyl)-3-methyl-4-tosyl-1H-pyrazol-5-yl 3,4,5-triethoxybenzoate. Following Lipinski's Rule of Five, 1-(tert-butyl)-3-methyl-4-tosyl-1H-pyrazol-5-yl 3,4,5-triethoxybenzoate has 0 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1-(tert-butyl)-3-methyl-4-tosyl-1H-pyrazol-5-yl 3,4,5-triethoxybenzoate?
The CAS number of 1-(tert-butyl)-3-methyl-4-tosyl-1H-pyrazol-5-yl 3,4,5-triethoxybenzoate is 851082-70-7.
What is the molecular formula of 1-(tert-butyl)-3-methyl-4-tosyl-1H-pyrazol-5-yl 3,4,5-triethoxybenzoate?
The molecular formula of 1-(tert-butyl)-3-methyl-4-tosyl-1H-pyrazol-5-yl 3,4,5-triethoxybenzoate is C28H36N2O7S.
What is the molecular weight of 1-(tert-butyl)-3-methyl-4-tosyl-1H-pyrazol-5-yl 3,4,5-triethoxybenzoate?
The molecular weight of 1-(tert-butyl)-3-methyl-4-tosyl-1H-pyrazol-5-yl 3,4,5-triethoxybenzoate is 544.22 g/mol.
Where can I buy 1-(tert-butyl)-3-methyl-4-tosyl-1H-pyrazol-5-yl 3,4,5-triethoxybenzoate?
You can request a quote for 1-(tert-butyl)-3-methyl-4-tosyl-1H-pyrazol-5-yl 3,4,5-triethoxybenzoate 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 3,4,5-triethoxybenzoate?
Yes, KEHONG BIO provides custom synthesis services for 1-(tert-butyl)-3-methyl-4-tosyl-1H-pyrazol-5-yl 3,4,5-triethoxybenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.