1-(tert-butyl)-3-methyl-4-tosyl-1H-pyrazol-5-yl 5-bromofuran-2-carboxylate
TL;DR: 1-(tert-butyl)-3-methyl-4-tosyl-1H-pyrazol-5-yl 5-bromofuran-2-carboxylate (CAS 851082-22-9) is a chemical compound with molecular formula C20H21BrN2O5S and molecular weight 480.04 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] 5-bromofuran-2-carboxylate
Also Known As: 1-(tert-butyl)-3-methyl-4-tosyl-1H-pyrazol-5-yl 5-bromofuran-2-carboxylate, [2-tert-butyl-5-methyl-4-(4-methylphenyl)sulfonylpyrazol-3-yl] 5-bromofuran-2-carboxylate, 1-tert-butyl-3-methyl-4-[(4-methylphenyl)sulfonyl]-1H-pyrazol-5-yl 5-bromo-2-furoate, 1-TERT-BUTYL-3-METHYL-4-(4-METHYLBENZENESULFONYL)-1H-PYRAZOL-5-YL 5-BROMOFURAN-2-CARBOXYLATE
| Molecular Formula | C20H21BrN2O5S |
|---|---|
| Molecular Weight | 480.04 g/mol |
| LogP | 4.66244 |
| Topological Polar Surface Area | 91.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 480.03546 |
| Heavy Atoms | 29 |
| Complexity | 1168.67 |
Chemical Identifiers
| CAS Number | 851082-22-9 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)C2=C(N(N=C2C)C(C)(C)C)OC(=O)C3=CC=C(O3)Br |
Product Overview
1-(tert-butyl)-3-methyl-4-tosyl-1H-pyrazol-5-yl 5-bromofuran-2-carboxylate (CAS 851082-22-9), with molecular formula C20H21BrN2O5S and molecular weight 480.04 g/mol. IUPAC: [1-tert-butyl-3-methyl-4-(4-methylphenyl)sulfonylpyrazol-5-yl] 5-bromofuran-2-carboxylate.
Chemical Property Profile of 1-(tert-butyl)-3-methyl-4-tosyl-1H-pyrazol-5-yl 5-bromofuran-2-carboxylate
Property Insights of 1-(tert-butyl)-3-methyl-4-tosyl-1H-pyrazol-5-yl 5-bromofuran-2-carboxylate
The XLogP value of 4.66244 indicates that 1-(tert-butyl)-3-methyl-4-tosyl-1H-pyrazol-5-yl 5-bromofuran-2-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 91.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(tert-butyl)-3-methyl-4-tosyl-1H-pyrazol-5-yl 5-bromofuran-2-carboxylate. Following Lipinski's Rule of Five, 1-(tert-butyl)-3-methyl-4-tosyl-1H-pyrazol-5-yl 5-bromofuran-2-carboxylate has 0 hydrogen bond donor(s) and 6 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 5-bromofuran-2-carboxylate?
The CAS number of 1-(tert-butyl)-3-methyl-4-tosyl-1H-pyrazol-5-yl 5-bromofuran-2-carboxylate is 851082-22-9.
What is the molecular formula of 1-(tert-butyl)-3-methyl-4-tosyl-1H-pyrazol-5-yl 5-bromofuran-2-carboxylate?
The molecular formula of 1-(tert-butyl)-3-methyl-4-tosyl-1H-pyrazol-5-yl 5-bromofuran-2-carboxylate is C20H21BrN2O5S.
What is the molecular weight of 1-(tert-butyl)-3-methyl-4-tosyl-1H-pyrazol-5-yl 5-bromofuran-2-carboxylate?
The molecular weight of 1-(tert-butyl)-3-methyl-4-tosyl-1H-pyrazol-5-yl 5-bromofuran-2-carboxylate is 480.04 g/mol.
Where can I buy 1-(tert-butyl)-3-methyl-4-tosyl-1H-pyrazol-5-yl 5-bromofuran-2-carboxylate?
You can request a quote for 1-(tert-butyl)-3-methyl-4-tosyl-1H-pyrazol-5-yl 5-bromofuran-2-carboxylate 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 5-bromofuran-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for 1-(tert-butyl)-3-methyl-4-tosyl-1H-pyrazol-5-yl 5-bromofuran-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.