3-methyl-4-(4-nitrobenzenesulfonyl)-1-phenyl-1H-pyrazol-5-yl 2-(2,4-dichlorophenoxy)acetate
TL;DR: 3-methyl-4-(4-nitrobenzenesulfonyl)-1-phenyl-1H-pyrazol-5-yl 2-(2,4-dichlorophenoxy)acetate (CAS 851093-73-7) is a chemical compound with molecular formula C24H17Cl2N3O7S and molecular weight 561.02 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-(2,4-dichlorophenoxy)acetate
Also Known As: 3-methyl-4-(4-nitrobenzenesulfonyl)-1-phenyl-1H-pyrazol-5-yl 2-(2,4-dichlorophenoxy)acetate, F0605-0489, [5-methyl-4-(4-nitrophenyl)sulfonyl-2-phenylpyrazol-3-yl] 2-(2,4-dichlorophenoxy)acetate, 3-methyl-4-[(4-nitrophenyl)sulfonyl]-1-phenyl-1H-pyrazol-5-yl (2,4-dichlorophenoxy)acetate, [5-methyl-4-(4-nitrophenyl)sulfonyl-2-phenyl-pyrazol-3-yl] 2-(2,4-dichlorophenoxy)acetate
| Molecular Formula | C24H17Cl2N3O7S |
|---|---|
| Molecular Weight | 561.02 g/mol |
| LogP | 5.21292 |
| Topological Polar Surface Area | 130.63 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 561.0164 |
| Heavy Atoms | 37 |
| Complexity | 1588.8341 |
Chemical Identifiers
| CAS Number | 851093-73-7 |
|---|---|
| SMILES | CC1=NN(C(=C1S(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-])OC(=O)COC3=C(C=C(C=C3)Cl)Cl)C4=CC=CC=C4 |
Product Overview
3-methyl-4-(4-nitrobenzenesulfonyl)-1-phenyl-1H-pyrazol-5-yl 2-(2,4-dichlorophenoxy)acetate (CAS 851093-73-7), with molecular formula C24H17Cl2N3O7S and molecular weight 561.02 g/mol. IUPAC: [3-methyl-4-(4-nitrophenyl)sulfonyl-1-phenylpyrazol-5-yl] 2-(2,4-dichlorophenoxy)acetate.
Chemical Property Profile of 3-methyl-4-(4-nitrobenzenesulfonyl)-1-phenyl-1H-pyrazol-5-yl 2-(2,4-dichlorophenoxy)acetate
Property Insights of 3-methyl-4-(4-nitrobenzenesulfonyl)-1-phenyl-1H-pyrazol-5-yl 2-(2,4-dichlorophenoxy)acetate
The XLogP value of 5.21292 indicates that 3-methyl-4-(4-nitrobenzenesulfonyl)-1-phenyl-1H-pyrazol-5-yl 2-(2,4-dichlorophenoxy)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-(2,4-dichlorophenoxy)acetate. Following Lipinski's Rule of Five, 3-methyl-4-(4-nitrobenzenesulfonyl)-1-phenyl-1H-pyrazol-5-yl 2-(2,4-dichlorophenoxy)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-(2,4-dichlorophenoxy)acetate?
The CAS number of 3-methyl-4-(4-nitrobenzenesulfonyl)-1-phenyl-1H-pyrazol-5-yl 2-(2,4-dichlorophenoxy)acetate is 851093-73-7.
What is the molecular formula of 3-methyl-4-(4-nitrobenzenesulfonyl)-1-phenyl-1H-pyrazol-5-yl 2-(2,4-dichlorophenoxy)acetate?
The molecular formula of 3-methyl-4-(4-nitrobenzenesulfonyl)-1-phenyl-1H-pyrazol-5-yl 2-(2,4-dichlorophenoxy)acetate is C24H17Cl2N3O7S.
What is the molecular weight of 3-methyl-4-(4-nitrobenzenesulfonyl)-1-phenyl-1H-pyrazol-5-yl 2-(2,4-dichlorophenoxy)acetate?
The molecular weight of 3-methyl-4-(4-nitrobenzenesulfonyl)-1-phenyl-1H-pyrazol-5-yl 2-(2,4-dichlorophenoxy)acetate is 561.02 g/mol.
Where can I buy 3-methyl-4-(4-nitrobenzenesulfonyl)-1-phenyl-1H-pyrazol-5-yl 2-(2,4-dichlorophenoxy)acetate?
You can request a quote for 3-methyl-4-(4-nitrobenzenesulfonyl)-1-phenyl-1H-pyrazol-5-yl 2-(2,4-dichlorophenoxy)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-(2,4-dichlorophenoxy)acetate?
Yes, KEHONG BIO provides custom synthesis services for 3-methyl-4-(4-nitrobenzenesulfonyl)-1-phenyl-1H-pyrazol-5-yl 2-(2,4-dichlorophenoxy)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.