3-methyl-4-((4-nitrophenyl)sulfonyl)-1-phenyl-1H-pyrazol-5-yl 3,4-diethoxybenzoate
TL;DR: 3-methyl-4-((4-nitrophenyl)sulfonyl)-1-phenyl-1H-pyrazol-5-yl 3,4-diethoxybenzoate (CAS 851093-59-9) is a chemical compound with molecular formula C27H25N3O8S and molecular weight 551.14 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] 3,4-diethoxybenzoate
Also Known As: 3-methyl-4-((4-nitrophenyl)sulfonyl)-1-phenyl-1H-pyrazol-5-yl 3,4-diethoxybenzoate, 3-methyl-4-(4-nitrobenzenesulfonyl)-1-phenyl-1H-pyrazol-5-yl 3,4-diethoxybenzoate, [5-methyl-4-(4-nitrophenyl)sulfonyl-2-phenylpyrazol-3-yl] 3,4-diethoxybenzoate, F0605-0469, [5-methyl-4-(4-nitrophenyl)sulfonyl-2-phenyl-pyrazol-3-yl] 3,4-diethoxybenzoate
| Molecular Formula | C27H25N3O8S |
|---|---|
| Molecular Weight | 551.14 g/mol |
| LogP | 4.93832 |
| Topological Polar Surface Area | 139.86 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 10 |
| Exact Mass | 551.1362 |
| Heavy Atoms | 39 |
| Complexity | 1614.9877 |
Chemical Identifiers
| CAS Number | 851093-59-9 |
|---|---|
| SMILES | CCOC1=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-])OCC |
Product Overview
3-methyl-4-((4-nitrophenyl)sulfonyl)-1-phenyl-1H-pyrazol-5-yl 3,4-diethoxybenzoate (CAS 851093-59-9), with molecular formula C27H25N3O8S and molecular weight 551.14 g/mol. IUPAC: [3-methyl-4-(4-nitrophenyl)sulfonyl-1-phenylpyrazol-5-yl] 3,4-diethoxybenzoate.
Chemical Property Profile of 3-methyl-4-((4-nitrophenyl)sulfonyl)-1-phenyl-1H-pyrazol-5-yl 3,4-diethoxybenzoate
Property Insights of 3-methyl-4-((4-nitrophenyl)sulfonyl)-1-phenyl-1H-pyrazol-5-yl 3,4-diethoxybenzoate
The XLogP value of 4.93832 indicates that 3-methyl-4-((4-nitrophenyl)sulfonyl)-1-phenyl-1H-pyrazol-5-yl 3,4-diethoxybenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 139.86 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-methyl-4-((4-nitrophenyl)sulfonyl)-1-phenyl-1H-pyrazol-5-yl 3,4-diethoxybenzoate. Following Lipinski's Rule of Five, 3-methyl-4-((4-nitrophenyl)sulfonyl)-1-phenyl-1H-pyrazol-5-yl 3,4-diethoxybenzoate 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-nitrophenyl)sulfonyl)-1-phenyl-1H-pyrazol-5-yl 3,4-diethoxybenzoate?
The CAS number of 3-methyl-4-((4-nitrophenyl)sulfonyl)-1-phenyl-1H-pyrazol-5-yl 3,4-diethoxybenzoate is 851093-59-9.
What is the molecular formula of 3-methyl-4-((4-nitrophenyl)sulfonyl)-1-phenyl-1H-pyrazol-5-yl 3,4-diethoxybenzoate?
The molecular formula of 3-methyl-4-((4-nitrophenyl)sulfonyl)-1-phenyl-1H-pyrazol-5-yl 3,4-diethoxybenzoate is C27H25N3O8S.
What is the molecular weight of 3-methyl-4-((4-nitrophenyl)sulfonyl)-1-phenyl-1H-pyrazol-5-yl 3,4-diethoxybenzoate?
The molecular weight of 3-methyl-4-((4-nitrophenyl)sulfonyl)-1-phenyl-1H-pyrazol-5-yl 3,4-diethoxybenzoate is 551.14 g/mol.
Where can I buy 3-methyl-4-((4-nitrophenyl)sulfonyl)-1-phenyl-1H-pyrazol-5-yl 3,4-diethoxybenzoate?
You can request a quote for 3-methyl-4-((4-nitrophenyl)sulfonyl)-1-phenyl-1H-pyrazol-5-yl 3,4-diethoxybenzoate 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 3,4-diethoxybenzoate?
Yes, KEHONG BIO provides custom synthesis services for 3-methyl-4-((4-nitrophenyl)sulfonyl)-1-phenyl-1H-pyrazol-5-yl 3,4-diethoxybenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.