![[5-Methyl-4-(4-nitrophenyl)sulfonyl-2-phenylpyrazol-3-yl] 3,5-dimethylbenzoate structure](/static/products/851/851093-47-5.png)
[5-Methyl-4-(4-nitrophenyl)sulfonyl-2-phenylpyrazol-3-yl] 3,5-dimethylbenzoate
TL;DR: [5-Methyl-4-(4-nitrophenyl)sulfonyl-2-phenylpyrazol-3-yl] 3,5-dimethylbenzoate (CAS 851093-47-5) is a chemical compound with molecular formula C25H21N3O6S and molecular weight 491.12 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] 3,5-dimethylbenzoate
Also Known As: 3-methyl-4-(4-nitrobenzenesulfonyl)-1-phenyl-1H-pyrazol-5-yl 3,5-dimethylbenzoate, [5-methyl-4-(4-nitrophenyl)sulfonyl-2-phenylpyrazol-3-yl] 3,5-dimethylbenzoate, F0605-0455, 3-methyl-4-((4-nitrophenyl)sulfonyl)-1-phenyl-1H-pyrazol-5-yl 3,5-dimethylbenzoate, [5-methyl-4-(4-nitrophenyl)sulfonyl-2-phenyl-pyrazol-3-yl] 3,5-dimethylbenzoate
| Molecular Formula | C25H21N3O6S |
|---|---|
| Molecular Weight | 491.12 g/mol |
| LogP | 4.75776 |
| Topological Polar Surface Area | 121.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 491.1151 |
| Heavy Atoms | 35 |
| Complexity | 1522.0756 |
Chemical Identifiers
| CAS Number | 851093-47-5 |
|---|---|
| SMILES | CC1=CC(=CC(=C1)C(=O)OC2=C(C(=NN2C3=CC=CC=C3)C)S(=O)(=O)C4=CC=C(C=C4)[N+](=O)[O-])C |
Product Overview
[5-Methyl-4-(4-nitrophenyl)sulfonyl-2-phenylpyrazol-3-yl] 3,5-dimethylbenzoate (CAS 851093-47-5), with molecular formula C25H21N3O6S and molecular weight 491.12 g/mol. IUPAC: [3-methyl-4-(4-nitrophenyl)sulfonyl-1-phenylpyrazol-5-yl] 3,5-dimethylbenzoate.
Chemical Property Profile of [5-Methyl-4-(4-nitrophenyl)sulfonyl-2-phenylpyrazol-3-yl] 3,5-dimethylbenzoate
Property Insights of [5-Methyl-4-(4-nitrophenyl)sulfonyl-2-phenylpyrazol-3-yl] 3,5-dimethylbenzoate
The XLogP value of 4.75776 indicates that [5-Methyl-4-(4-nitrophenyl)sulfonyl-2-phenylpyrazol-3-yl] 3,5-dimethylbenzoate 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] 3,5-dimethylbenzoate. Following Lipinski's Rule of Five, [5-Methyl-4-(4-nitrophenyl)sulfonyl-2-phenylpyrazol-3-yl] 3,5-dimethylbenzoate 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] 3,5-dimethylbenzoate?
The CAS number of [5-Methyl-4-(4-nitrophenyl)sulfonyl-2-phenylpyrazol-3-yl] 3,5-dimethylbenzoate is 851093-47-5.
What is the molecular formula of [5-Methyl-4-(4-nitrophenyl)sulfonyl-2-phenylpyrazol-3-yl] 3,5-dimethylbenzoate?
The molecular formula of [5-Methyl-4-(4-nitrophenyl)sulfonyl-2-phenylpyrazol-3-yl] 3,5-dimethylbenzoate is C25H21N3O6S.
What is the molecular weight of [5-Methyl-4-(4-nitrophenyl)sulfonyl-2-phenylpyrazol-3-yl] 3,5-dimethylbenzoate?
The molecular weight of [5-Methyl-4-(4-nitrophenyl)sulfonyl-2-phenylpyrazol-3-yl] 3,5-dimethylbenzoate is 491.12 g/mol.
Where can I buy [5-Methyl-4-(4-nitrophenyl)sulfonyl-2-phenylpyrazol-3-yl] 3,5-dimethylbenzoate?
You can request a quote for [5-Methyl-4-(4-nitrophenyl)sulfonyl-2-phenylpyrazol-3-yl] 3,5-dimethylbenzoate 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] 3,5-dimethylbenzoate?
Yes, KEHONG BIO provides custom synthesis services for [5-Methyl-4-(4-nitrophenyl)sulfonyl-2-phenylpyrazol-3-yl] 3,5-dimethylbenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.