3-methyl-4-(4-nitrobenzenesulfonyl)-1-phenyl-1H-pyrazol-5-yl 4-methyl-3-nitrobenzoate
TL;DR: 3-methyl-4-(4-nitrobenzenesulfonyl)-1-phenyl-1H-pyrazol-5-yl 4-methyl-3-nitrobenzoate (CAS 851094-01-4) is a chemical compound with molecular formula C24H18N4O8S and molecular weight 522.08 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-methyl-3-nitrobenzoate
Also Known As: 3-methyl-4-(4-nitrobenzenesulfonyl)-1-phenyl-1H-pyrazol-5-yl 4-methyl-3-nitrobenzoate, F0605-0525, [5-methyl-4-(4-nitrophenyl)sulfonyl-2-phenylpyrazol-3-yl] 4-methyl-3-nitrobenzoate, 3-methyl-4-((4-nitrophenyl)sulfonyl)-1-phenyl-1H-pyrazol-5-yl 4-methyl-3-nitrobenzoate, [5-methyl-4-(4-nitrophenyl)sulfonyl-2-phenyl-pyrazol-3-yl] 4-methyl-3-nitro-benzoate
| Molecular Formula | C24H18N4O8S |
|---|---|
| Molecular Weight | 522.08 g/mol |
| LogP | 4.35754 |
| Topological Polar Surface Area | 164.54 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 7 |
| Exact Mass | 522.08453 |
| Heavy Atoms | 37 |
| Complexity | 1646.2628 |
Chemical Identifiers
| CAS Number | 851094-01-4 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)C(=O)OC2=C(C(=NN2C3=CC=CC=C3)C)S(=O)(=O)C4=CC=C(C=C4)[N+](=O)[O-])[N+](=O)[O-] |
Product Overview
3-methyl-4-(4-nitrobenzenesulfonyl)-1-phenyl-1H-pyrazol-5-yl 4-methyl-3-nitrobenzoate (CAS 851094-01-4), with molecular formula C24H18N4O8S and molecular weight 522.08 g/mol. IUPAC: [3-methyl-4-(4-nitrophenyl)sulfonyl-1-phenylpyrazol-5-yl] 4-methyl-3-nitrobenzoate.
Chemical Property Profile of 3-methyl-4-(4-nitrobenzenesulfonyl)-1-phenyl-1H-pyrazol-5-yl 4-methyl-3-nitrobenzoate
Property Insights of 3-methyl-4-(4-nitrobenzenesulfonyl)-1-phenyl-1H-pyrazol-5-yl 4-methyl-3-nitrobenzoate
The XLogP value of 4.35754 indicates that 3-methyl-4-(4-nitrobenzenesulfonyl)-1-phenyl-1H-pyrazol-5-yl 4-methyl-3-nitrobenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 164.54 Ų indicates high polarity, suggesting 3-methyl-4-(4-nitrobenzenesulfonyl)-1-phenyl-1H-pyrazol-5-yl 4-methyl-3-nitrobenzoate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 3-methyl-4-(4-nitrobenzenesulfonyl)-1-phenyl-1H-pyrazol-5-yl 4-methyl-3-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 3-methyl-4-(4-nitrobenzenesulfonyl)-1-phenyl-1H-pyrazol-5-yl 4-methyl-3-nitrobenzoate?
The CAS number of 3-methyl-4-(4-nitrobenzenesulfonyl)-1-phenyl-1H-pyrazol-5-yl 4-methyl-3-nitrobenzoate is 851094-01-4.
What is the molecular formula of 3-methyl-4-(4-nitrobenzenesulfonyl)-1-phenyl-1H-pyrazol-5-yl 4-methyl-3-nitrobenzoate?
The molecular formula of 3-methyl-4-(4-nitrobenzenesulfonyl)-1-phenyl-1H-pyrazol-5-yl 4-methyl-3-nitrobenzoate is C24H18N4O8S.
What is the molecular weight of 3-methyl-4-(4-nitrobenzenesulfonyl)-1-phenyl-1H-pyrazol-5-yl 4-methyl-3-nitrobenzoate?
The molecular weight of 3-methyl-4-(4-nitrobenzenesulfonyl)-1-phenyl-1H-pyrazol-5-yl 4-methyl-3-nitrobenzoate is 522.08 g/mol.
Where can I buy 3-methyl-4-(4-nitrobenzenesulfonyl)-1-phenyl-1H-pyrazol-5-yl 4-methyl-3-nitrobenzoate?
You can request a quote for 3-methyl-4-(4-nitrobenzenesulfonyl)-1-phenyl-1H-pyrazol-5-yl 4-methyl-3-nitrobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-methyl-4-(4-nitrobenzenesulfonyl)-1-phenyl-1H-pyrazol-5-yl 4-methyl-3-nitrobenzoate?
Yes, KEHONG BIO provides custom synthesis services for 3-methyl-4-(4-nitrobenzenesulfonyl)-1-phenyl-1H-pyrazol-5-yl 4-methyl-3-nitrobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.