3-methyl-4-((4-nitrophenyl)sulfonyl)-1-phenyl-1H-pyrazol-5-yl 3-bromobenzoate
TL;DR: 3-methyl-4-((4-nitrophenyl)sulfonyl)-1-phenyl-1H-pyrazol-5-yl 3-bromobenzoate (CAS 851093-82-8) is a chemical compound with molecular formula C23H16BrN3O6S and molecular weight 540.99 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-bromobenzoate
Also Known As: 3-methyl-4-((4-nitrophenyl)sulfonyl)-1-phenyl-1H-pyrazol-5-yl 3-bromobenzoate, 3-methyl-4-(4-nitrobenzenesulfonyl)-1-phenyl-1H-pyrazol-5-yl 3-bromobenzoate, F0605-0498, [5-methyl-4-(4-nitrophenyl)sulfonyl-2-phenylpyrazol-3-yl] 3-bromobenzoate, [5-methyl-4-(4-nitrophenyl)sulfonyl-2-phenyl-pyrazol-3-yl] 3-bromobenzoate
| Molecular Formula | C23H16BrN3O6S |
|---|---|
| Molecular Weight | 540.99 g/mol |
| LogP | 4.90342 |
| Topological Polar Surface Area | 121.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 540.9943 |
| Heavy Atoms | 34 |
| Complexity | 1499.7148 |
Chemical Identifiers
| CAS Number | 851093-82-8 |
|---|---|
| SMILES | CC1=NN(C(=C1S(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-])OC(=O)C3=CC(=CC=C3)Br)C4=CC=CC=C4 |
Product Overview
3-methyl-4-((4-nitrophenyl)sulfonyl)-1-phenyl-1H-pyrazol-5-yl 3-bromobenzoate (CAS 851093-82-8), with molecular formula C23H16BrN3O6S and molecular weight 540.99 g/mol. IUPAC: [3-methyl-4-(4-nitrophenyl)sulfonyl-1-phenylpyrazol-5-yl] 3-bromobenzoate.
Chemical Property Profile of 3-methyl-4-((4-nitrophenyl)sulfonyl)-1-phenyl-1H-pyrazol-5-yl 3-bromobenzoate
Property Insights of 3-methyl-4-((4-nitrophenyl)sulfonyl)-1-phenyl-1H-pyrazol-5-yl 3-bromobenzoate
The XLogP value of 4.90342 indicates that 3-methyl-4-((4-nitrophenyl)sulfonyl)-1-phenyl-1H-pyrazol-5-yl 3-bromobenzoate 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 3-methyl-4-((4-nitrophenyl)sulfonyl)-1-phenyl-1H-pyrazol-5-yl 3-bromobenzoate. Following Lipinski's Rule of Five, 3-methyl-4-((4-nitrophenyl)sulfonyl)-1-phenyl-1H-pyrazol-5-yl 3-bromobenzoate has 0 hydrogen bond donor(s) and 7 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-nitrophenyl)sulfonyl)-1-phenyl-1H-pyrazol-5-yl 3-bromobenzoate?
The CAS number of 3-methyl-4-((4-nitrophenyl)sulfonyl)-1-phenyl-1H-pyrazol-5-yl 3-bromobenzoate is 851093-82-8.
What is the molecular formula of 3-methyl-4-((4-nitrophenyl)sulfonyl)-1-phenyl-1H-pyrazol-5-yl 3-bromobenzoate?
The molecular formula of 3-methyl-4-((4-nitrophenyl)sulfonyl)-1-phenyl-1H-pyrazol-5-yl 3-bromobenzoate is C23H16BrN3O6S.
What is the molecular weight of 3-methyl-4-((4-nitrophenyl)sulfonyl)-1-phenyl-1H-pyrazol-5-yl 3-bromobenzoate?
The molecular weight of 3-methyl-4-((4-nitrophenyl)sulfonyl)-1-phenyl-1H-pyrazol-5-yl 3-bromobenzoate is 540.99 g/mol.
Where can I buy 3-methyl-4-((4-nitrophenyl)sulfonyl)-1-phenyl-1H-pyrazol-5-yl 3-bromobenzoate?
You can request a quote for 3-methyl-4-((4-nitrophenyl)sulfonyl)-1-phenyl-1H-pyrazol-5-yl 3-bromobenzoate 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-nitrophenyl)sulfonyl)-1-phenyl-1H-pyrazol-5-yl 3-bromobenzoate?
Yes, KEHONG BIO provides custom synthesis services for 3-methyl-4-((4-nitrophenyl)sulfonyl)-1-phenyl-1H-pyrazol-5-yl 3-bromobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.