4-(benzenesulfonyl)-1-(2,4-dimethylphenyl)-3-methyl-1H-pyrazol-5-yl 4-fluorobenzoate
TL;DR: 4-(benzenesulfonyl)-1-(2,4-dimethylphenyl)-3-methyl-1H-pyrazol-5-yl 4-fluorobenzoate (CAS 851094-25-2) is a chemical compound with molecular formula C25H21FN2O4S and molecular weight 464.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-(benzenesulfonyl)-1-(2,4-dimethylphenyl)-3-methylpyrazol-5-yl] 4-fluorobenzoate
Also Known As: 4-(benzenesulfonyl)-1-(2,4-dimethylphenyl)-3-methyl-1H-pyrazol-5-yl 4-fluorobenzoate, F0605-0592, [4-(benzenesulfonyl)-2-(2,4-dimethylphenyl)-5-methylpyrazol-3-yl] 4-fluorobenzoate, 1-(2,4-dimethylphenyl)-3-methyl-4-(phenylsulfonyl)-1H-pyrazol-5-yl 4-fluorobenzoate, [4-(benzenesulfonyl)-2-(2,4-dimethylphenyl)-5-methyl-pyrazol-3-yl] 4-fluorobenzoate
| Molecular Formula | C25H21FN2O4S |
|---|---|
| Molecular Weight | 464.12 g/mol |
| LogP | 4.98866 |
| Topological Polar Surface Area | 78.26 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 464.1206 |
| Heavy Atoms | 33 |
| Complexity | 1444.0177 |
Chemical Identifiers
| CAS Number | 851094-25-2 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)N2C(=C(C(=N2)C)S(=O)(=O)C3=CC=CC=C3)OC(=O)C4=CC=C(C=C4)F)C |
Product Overview
4-(benzenesulfonyl)-1-(2,4-dimethylphenyl)-3-methyl-1H-pyrazol-5-yl 4-fluorobenzoate (CAS 851094-25-2), with molecular formula C25H21FN2O4S and molecular weight 464.12 g/mol. IUPAC: [4-(benzenesulfonyl)-1-(2,4-dimethylphenyl)-3-methylpyrazol-5-yl] 4-fluorobenzoate.
Chemical Property Profile of 4-(benzenesulfonyl)-1-(2,4-dimethylphenyl)-3-methyl-1H-pyrazol-5-yl 4-fluorobenzoate
Property Insights of 4-(benzenesulfonyl)-1-(2,4-dimethylphenyl)-3-methyl-1H-pyrazol-5-yl 4-fluorobenzoate
The XLogP value of 4.98866 indicates that 4-(benzenesulfonyl)-1-(2,4-dimethylphenyl)-3-methyl-1H-pyrazol-5-yl 4-fluorobenzoate 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 4-(benzenesulfonyl)-1-(2,4-dimethylphenyl)-3-methyl-1H-pyrazol-5-yl 4-fluorobenzoate. Following Lipinski's Rule of Five, 4-(benzenesulfonyl)-1-(2,4-dimethylphenyl)-3-methyl-1H-pyrazol-5-yl 4-fluorobenzoate 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 4-(benzenesulfonyl)-1-(2,4-dimethylphenyl)-3-methyl-1H-pyrazol-5-yl 4-fluorobenzoate?
The CAS number of 4-(benzenesulfonyl)-1-(2,4-dimethylphenyl)-3-methyl-1H-pyrazol-5-yl 4-fluorobenzoate is 851094-25-2.
What is the molecular formula of 4-(benzenesulfonyl)-1-(2,4-dimethylphenyl)-3-methyl-1H-pyrazol-5-yl 4-fluorobenzoate?
The molecular formula of 4-(benzenesulfonyl)-1-(2,4-dimethylphenyl)-3-methyl-1H-pyrazol-5-yl 4-fluorobenzoate is C25H21FN2O4S.
What is the molecular weight of 4-(benzenesulfonyl)-1-(2,4-dimethylphenyl)-3-methyl-1H-pyrazol-5-yl 4-fluorobenzoate?
The molecular weight of 4-(benzenesulfonyl)-1-(2,4-dimethylphenyl)-3-methyl-1H-pyrazol-5-yl 4-fluorobenzoate is 464.12 g/mol.
Where can I buy 4-(benzenesulfonyl)-1-(2,4-dimethylphenyl)-3-methyl-1H-pyrazol-5-yl 4-fluorobenzoate?
You can request a quote for 4-(benzenesulfonyl)-1-(2,4-dimethylphenyl)-3-methyl-1H-pyrazol-5-yl 4-fluorobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(benzenesulfonyl)-1-(2,4-dimethylphenyl)-3-methyl-1H-pyrazol-5-yl 4-fluorobenzoate?
Yes, KEHONG BIO provides custom synthesis services for 4-(benzenesulfonyl)-1-(2,4-dimethylphenyl)-3-methyl-1H-pyrazol-5-yl 4-fluorobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.