![[5-Methyl-4-(4-nitrophenyl)sulfonyl-2-phenylpyrazol-3-yl] 4-nitrobenzoate structure](/static/products/851/851093-89-5.png)
[5-Methyl-4-(4-nitrophenyl)sulfonyl-2-phenylpyrazol-3-yl] 4-nitrobenzoate
TL;DR: [5-Methyl-4-(4-nitrophenyl)sulfonyl-2-phenylpyrazol-3-yl] 4-nitrobenzoate (CAS 851093-89-5) is a chemical compound with molecular formula C23H16N4O8S and molecular weight 508.07 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] 4-nitrobenzoate
Also Known As: 3-methyl-4-(4-nitrobenzenesulfonyl)-1-phenyl-1H-pyrazol-5-yl 4-nitrobenzoate, F0605-0506, [5-methyl-4-(4-nitrophenyl)sulfonyl-2-phenylpyrazol-3-yl] 4-nitrobenzoate, 3-methyl-4-((4-nitrophenyl)sulfonyl)-1-phenyl-1H-pyrazol-5-yl 4-nitrobenzoate, [5-methyl-4-(4-nitrophenyl)sulfonyl-2-phenyl-pyrazol-3-yl] 4-nitrobenzoate
| Molecular Formula | C23H16N4O8S |
|---|---|
| Molecular Weight | 508.07 g/mol |
| LogP | 4.04912 |
| Topological Polar Surface Area | 164.54 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 7 |
| Exact Mass | 508.06888 |
| Heavy Atoms | 36 |
| Complexity | 1579.8302 |
Chemical Identifiers
| CAS Number | 851093-89-5 |
|---|---|
| SMILES | CC1=NN(C(=C1S(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-])OC(=O)C3=CC=C(C=C3)[N+](=O)[O-])C4=CC=CC=C4 |
Product Overview
[5-Methyl-4-(4-nitrophenyl)sulfonyl-2-phenylpyrazol-3-yl] 4-nitrobenzoate (CAS 851093-89-5), with molecular formula C23H16N4O8S and molecular weight 508.07 g/mol. IUPAC: [3-methyl-4-(4-nitrophenyl)sulfonyl-1-phenylpyrazol-5-yl] 4-nitrobenzoate.
Chemical Property Profile of [5-Methyl-4-(4-nitrophenyl)sulfonyl-2-phenylpyrazol-3-yl] 4-nitrobenzoate
Property Insights of [5-Methyl-4-(4-nitrophenyl)sulfonyl-2-phenylpyrazol-3-yl] 4-nitrobenzoate
The XLogP value of 4.04912 indicates that [5-Methyl-4-(4-nitrophenyl)sulfonyl-2-phenylpyrazol-3-yl] 4-nitrobenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 164.54 Ų indicates high polarity, suggesting [5-Methyl-4-(4-nitrophenyl)sulfonyl-2-phenylpyrazol-3-yl] 4-nitrobenzoate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, [5-Methyl-4-(4-nitrophenyl)sulfonyl-2-phenylpyrazol-3-yl] 4-nitrobenzoate has 0 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of [5-Methyl-4-(4-nitrophenyl)sulfonyl-2-phenylpyrazol-3-yl] 4-nitrobenzoate?
The CAS number of [5-Methyl-4-(4-nitrophenyl)sulfonyl-2-phenylpyrazol-3-yl] 4-nitrobenzoate is 851093-89-5.
What is the molecular formula of [5-Methyl-4-(4-nitrophenyl)sulfonyl-2-phenylpyrazol-3-yl] 4-nitrobenzoate?
The molecular formula of [5-Methyl-4-(4-nitrophenyl)sulfonyl-2-phenylpyrazol-3-yl] 4-nitrobenzoate is C23H16N4O8S.
What is the molecular weight of [5-Methyl-4-(4-nitrophenyl)sulfonyl-2-phenylpyrazol-3-yl] 4-nitrobenzoate?
The molecular weight of [5-Methyl-4-(4-nitrophenyl)sulfonyl-2-phenylpyrazol-3-yl] 4-nitrobenzoate is 508.07 g/mol.
Where can I buy [5-Methyl-4-(4-nitrophenyl)sulfonyl-2-phenylpyrazol-3-yl] 4-nitrobenzoate?
You can request a quote for [5-Methyl-4-(4-nitrophenyl)sulfonyl-2-phenylpyrazol-3-yl] 4-nitrobenzoate 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] 4-nitrobenzoate?
Yes, KEHONG BIO provides custom synthesis services for [5-Methyl-4-(4-nitrophenyl)sulfonyl-2-phenylpyrazol-3-yl] 4-nitrobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.