3-methyl-4-(4-nitrobenzenesulfonyl)-1-phenyl-1H-pyrazol-5-yl 2-(4-ethoxyphenyl)acetate
TL;DR: 3-methyl-4-(4-nitrobenzenesulfonyl)-1-phenyl-1H-pyrazol-5-yl 2-(4-ethoxyphenyl)acetate (CAS 851093-53-3) is a chemical compound with molecular formula C26H23N3O7S and molecular weight 521.13 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-(4-ethoxyphenyl)acetate
Also Known As: 3-methyl-4-(4-nitrobenzenesulfonyl)-1-phenyl-1H-pyrazol-5-yl 2-(4-ethoxyphenyl)acetate, F0605-0462, [5-methyl-4-(4-nitrophenyl)sulfonyl-2-phenylpyrazol-3-yl] 2-(4-ethoxyphenyl)acetate, [5-methyl-4-(4-nitrophenyl)sulfonyl-2-phenyl-pyrazol-3-yl] 2-(4-ethoxyphenyl)acetate, 3-methyl-4-((4-nitrophenyl)sulfonyl)-1-phenyl-1H-pyrazol-5-yl 2-(4-ethoxyphenyl)acetate
| Molecular Formula | C26H23N3O7S |
|---|---|
| Molecular Weight | 521.13 g/mol |
| LogP | 4.46852 |
| Topological Polar Surface Area | 130.63 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 9 |
| Exact Mass | 521.1257 |
| Heavy Atoms | 37 |
| Complexity | 1529.7986 |
Chemical Identifiers
| CAS Number | 851093-53-3 |
|---|---|
| SMILES | CCOC1=CC=C(C=C1)CC(=O)OC2=C(C(=NN2C3=CC=CC=C3)C)S(=O)(=O)C4=CC=C(C=C4)[N+](=O)[O-] |
Product Overview
3-methyl-4-(4-nitrobenzenesulfonyl)-1-phenyl-1H-pyrazol-5-yl 2-(4-ethoxyphenyl)acetate (CAS 851093-53-3), with molecular formula C26H23N3O7S and molecular weight 521.13 g/mol. IUPAC: [3-methyl-4-(4-nitrophenyl)sulfonyl-1-phenylpyrazol-5-yl] 2-(4-ethoxyphenyl)acetate.
Chemical Property Profile of 3-methyl-4-(4-nitrobenzenesulfonyl)-1-phenyl-1H-pyrazol-5-yl 2-(4-ethoxyphenyl)acetate
Property Insights of 3-methyl-4-(4-nitrobenzenesulfonyl)-1-phenyl-1H-pyrazol-5-yl 2-(4-ethoxyphenyl)acetate
The XLogP value of 4.46852 indicates that 3-methyl-4-(4-nitrobenzenesulfonyl)-1-phenyl-1H-pyrazol-5-yl 2-(4-ethoxyphenyl)acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 130.63 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-methyl-4-(4-nitrobenzenesulfonyl)-1-phenyl-1H-pyrazol-5-yl 2-(4-ethoxyphenyl)acetate. Following Lipinski's Rule of Five, 3-methyl-4-(4-nitrobenzenesulfonyl)-1-phenyl-1H-pyrazol-5-yl 2-(4-ethoxyphenyl)acetate has 0 hydrogen bond donor(s) and 8 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 2-(4-ethoxyphenyl)acetate?
The CAS number of 3-methyl-4-(4-nitrobenzenesulfonyl)-1-phenyl-1H-pyrazol-5-yl 2-(4-ethoxyphenyl)acetate is 851093-53-3.
What is the molecular formula of 3-methyl-4-(4-nitrobenzenesulfonyl)-1-phenyl-1H-pyrazol-5-yl 2-(4-ethoxyphenyl)acetate?
The molecular formula of 3-methyl-4-(4-nitrobenzenesulfonyl)-1-phenyl-1H-pyrazol-5-yl 2-(4-ethoxyphenyl)acetate is C26H23N3O7S.
What is the molecular weight of 3-methyl-4-(4-nitrobenzenesulfonyl)-1-phenyl-1H-pyrazol-5-yl 2-(4-ethoxyphenyl)acetate?
The molecular weight of 3-methyl-4-(4-nitrobenzenesulfonyl)-1-phenyl-1H-pyrazol-5-yl 2-(4-ethoxyphenyl)acetate is 521.13 g/mol.
Where can I buy 3-methyl-4-(4-nitrobenzenesulfonyl)-1-phenyl-1H-pyrazol-5-yl 2-(4-ethoxyphenyl)acetate?
You can request a quote for 3-methyl-4-(4-nitrobenzenesulfonyl)-1-phenyl-1H-pyrazol-5-yl 2-(4-ethoxyphenyl)acetate 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 2-(4-ethoxyphenyl)acetate?
Yes, KEHONG BIO provides custom synthesis services for 3-methyl-4-(4-nitrobenzenesulfonyl)-1-phenyl-1H-pyrazol-5-yl 2-(4-ethoxyphenyl)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.