![[5-Methyl-4-(4-nitrophenyl)sulfonyl-2-phenylpyrazol-3-yl] 2-ethylbutanoate structure](/static/products/851/851093-67-9.png)
[5-Methyl-4-(4-nitrophenyl)sulfonyl-2-phenylpyrazol-3-yl] 2-ethylbutanoate
TL;DR: [5-Methyl-4-(4-nitrophenyl)sulfonyl-2-phenylpyrazol-3-yl] 2-ethylbutanoate (CAS 851093-67-9) is a chemical compound with molecular formula C22H23N3O6S and molecular weight 457.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3-methyl-4-(4-nitrophenyl)sulfonyl-1-phenylpyrazol-5-yl] 2-ethylbutanoate
Also Known As: 3-methyl-4-(4-nitrobenzenesulfonyl)-1-phenyl-1H-pyrazol-5-yl 2-ethylbutanoate, F0605-0479, [5-methyl-4-(4-nitrophenyl)sulfonyl-2-phenylpyrazol-3-yl] 2-ethylbutanoate, 3-methyl-4-((4-nitrophenyl)sulfonyl)-1-phenyl-1H-pyrazol-5-yl 2-ethylbutanoate, [5-methyl-4-(4-nitrophenyl)sulfonyl-2-phenyl-pyrazol-3-yl] 2-ethylbutanoate
| Molecular Formula | C22H23N3O6S |
|---|---|
| Molecular Weight | 457.13 g/mol |
| LogP | 4.26332 |
| Topological Polar Surface Area | 121.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 457.13077 |
| Heavy Atoms | 32 |
| Complexity | 1230.6755 |
Chemical Identifiers
| CAS Number | 851093-67-9 |
|---|---|
| SMILES | CCC(CC)C(=O)OC1=C(C(=NN1C2=CC=CC=C2)C)S(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-] |
Product Overview
[5-Methyl-4-(4-nitrophenyl)sulfonyl-2-phenylpyrazol-3-yl] 2-ethylbutanoate (CAS 851093-67-9), with molecular formula C22H23N3O6S and molecular weight 457.13 g/mol. IUPAC: [3-methyl-4-(4-nitrophenyl)sulfonyl-1-phenylpyrazol-5-yl] 2-ethylbutanoate.
Chemical Property Profile of [5-Methyl-4-(4-nitrophenyl)sulfonyl-2-phenylpyrazol-3-yl] 2-ethylbutanoate
Property Insights of [5-Methyl-4-(4-nitrophenyl)sulfonyl-2-phenylpyrazol-3-yl] 2-ethylbutanoate
The XLogP value of 4.26332 indicates that [5-Methyl-4-(4-nitrophenyl)sulfonyl-2-phenylpyrazol-3-yl] 2-ethylbutanoate 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 [5-Methyl-4-(4-nitrophenyl)sulfonyl-2-phenylpyrazol-3-yl] 2-ethylbutanoate. Following Lipinski's Rule of Five, [5-Methyl-4-(4-nitrophenyl)sulfonyl-2-phenylpyrazol-3-yl] 2-ethylbutanoate 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 [5-Methyl-4-(4-nitrophenyl)sulfonyl-2-phenylpyrazol-3-yl] 2-ethylbutanoate?
The CAS number of [5-Methyl-4-(4-nitrophenyl)sulfonyl-2-phenylpyrazol-3-yl] 2-ethylbutanoate is 851093-67-9.
What is the molecular formula of [5-Methyl-4-(4-nitrophenyl)sulfonyl-2-phenylpyrazol-3-yl] 2-ethylbutanoate?
The molecular formula of [5-Methyl-4-(4-nitrophenyl)sulfonyl-2-phenylpyrazol-3-yl] 2-ethylbutanoate is C22H23N3O6S.
What is the molecular weight of [5-Methyl-4-(4-nitrophenyl)sulfonyl-2-phenylpyrazol-3-yl] 2-ethylbutanoate?
The molecular weight of [5-Methyl-4-(4-nitrophenyl)sulfonyl-2-phenylpyrazol-3-yl] 2-ethylbutanoate is 457.13 g/mol.
Where can I buy [5-Methyl-4-(4-nitrophenyl)sulfonyl-2-phenylpyrazol-3-yl] 2-ethylbutanoate?
You can request a quote for [5-Methyl-4-(4-nitrophenyl)sulfonyl-2-phenylpyrazol-3-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 [5-Methyl-4-(4-nitrophenyl)sulfonyl-2-phenylpyrazol-3-yl] 2-ethylbutanoate?
Yes, KEHONG BIO provides custom synthesis services for [5-Methyl-4-(4-nitrophenyl)sulfonyl-2-phenylpyrazol-3-yl] 2-ethylbutanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.