1-(tert-butyl)-3-methyl-4-tosyl-1H-pyrazol-5-yl 2-methyl-3-nitrobenzoate
TL;DR: 1-(tert-butyl)-3-methyl-4-tosyl-1H-pyrazol-5-yl 2-methyl-3-nitrobenzoate (CAS 851082-64-9) is a chemical compound with molecular formula C23H25N3O6S and molecular weight 471.15 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] 2-methyl-3-nitrobenzoate
Also Known As: 1-(tert-butyl)-3-methyl-4-tosyl-1H-pyrazol-5-yl 2-methyl-3-nitrobenzoate, F0605-0164, [2-tert-butyl-5-methyl-4-(4-methylphenyl)sulfonylpyrazol-3-yl] 2-methyl-3-nitrobenzoate, [5-methyl-4-(4-methylphenyl)sulfonyl-2-tert-butyl-pyrazol-3-yl] 2-methyl-3-nitro-benzoate, 1-TERT-BUTYL-3-METHYL-4-(4-METHYLBENZENESULFONYL)-1H-PYRAZOL-5-YL 2-METHYL-3-NITROBENZOATE
| Molecular Formula | C23H25N3O6S |
|---|---|
| Molecular Weight | 471.15 g/mol |
| LogP | 4.52356 |
| Topological Polar Surface Area | 121.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 471.1464 |
| Heavy Atoms | 33 |
| Complexity | 1350.069 |
Chemical Identifiers
| CAS Number | 851082-64-9 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)C2=C(N(N=C2C)C(C)(C)C)OC(=O)C3=C(C(=CC=C3)[N+](=O)[O-])C |
Product Overview
1-(tert-butyl)-3-methyl-4-tosyl-1H-pyrazol-5-yl 2-methyl-3-nitrobenzoate (CAS 851082-64-9), with molecular formula C23H25N3O6S and molecular weight 471.15 g/mol. IUPAC: [1-tert-butyl-3-methyl-4-(4-methylphenyl)sulfonylpyrazol-5-yl] 2-methyl-3-nitrobenzoate.
Chemical Property Profile of 1-(tert-butyl)-3-methyl-4-tosyl-1H-pyrazol-5-yl 2-methyl-3-nitrobenzoate
Property Insights of 1-(tert-butyl)-3-methyl-4-tosyl-1H-pyrazol-5-yl 2-methyl-3-nitrobenzoate
The XLogP value of 4.52356 indicates that 1-(tert-butyl)-3-methyl-4-tosyl-1H-pyrazol-5-yl 2-methyl-3-nitrobenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 121.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(tert-butyl)-3-methyl-4-tosyl-1H-pyrazol-5-yl 2-methyl-3-nitrobenzoate. Following Lipinski's Rule of Five, 1-(tert-butyl)-3-methyl-4-tosyl-1H-pyrazol-5-yl 2-methyl-3-nitrobenzoate has 0 hydrogen bond donor(s) and 7 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-methyl-3-nitrobenzoate?
The CAS number of 1-(tert-butyl)-3-methyl-4-tosyl-1H-pyrazol-5-yl 2-methyl-3-nitrobenzoate is 851082-64-9.
What is the molecular formula of 1-(tert-butyl)-3-methyl-4-tosyl-1H-pyrazol-5-yl 2-methyl-3-nitrobenzoate?
The molecular formula of 1-(tert-butyl)-3-methyl-4-tosyl-1H-pyrazol-5-yl 2-methyl-3-nitrobenzoate is C23H25N3O6S.
What is the molecular weight of 1-(tert-butyl)-3-methyl-4-tosyl-1H-pyrazol-5-yl 2-methyl-3-nitrobenzoate?
The molecular weight of 1-(tert-butyl)-3-methyl-4-tosyl-1H-pyrazol-5-yl 2-methyl-3-nitrobenzoate is 471.15 g/mol.
Where can I buy 1-(tert-butyl)-3-methyl-4-tosyl-1H-pyrazol-5-yl 2-methyl-3-nitrobenzoate?
You can request a quote for 1-(tert-butyl)-3-methyl-4-tosyl-1H-pyrazol-5-yl 2-methyl-3-nitrobenzoate 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-methyl-3-nitrobenzoate?
Yes, KEHONG BIO provides custom synthesis services for 1-(tert-butyl)-3-methyl-4-tosyl-1H-pyrazol-5-yl 2-methyl-3-nitrobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.