3-methyl-4-(4-nitrobenzenesulfonyl)-1-phenyl-1H-pyrazol-5-yl 3,4,5-triethoxybenzoate
TL;DR: 3-methyl-4-(4-nitrobenzenesulfonyl)-1-phenyl-1H-pyrazol-5-yl 3,4,5-triethoxybenzoate (CAS 851094-06-9) is a chemical compound with molecular formula C29H29N3O9S and molecular weight 595.16 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] 3,4,5-triethoxybenzoate
Also Known As: 3-methyl-4-(4-nitrobenzenesulfonyl)-1-phenyl-1H-pyrazol-5-yl 3,4,5-triethoxybenzoate, F0605-0530, 3-methyl-4-((4-nitrophenyl)sulfonyl)-1-phenyl-1H-pyrazol-5-yl 3,4,5-triethoxybenzoate, [5-methyl-4-(4-nitrophenyl)sulfonyl-2-phenylpyrazol-3-yl] 3,4,5-triethoxybenzoate, [5-methyl-4-(4-nitrophenyl)sulfonyl-2-phenyl-pyrazol-3-yl] 3,4,5-triethoxybenzoate
| Molecular Formula | C29H29N3O9S |
|---|---|
| Molecular Weight | 595.16 g/mol |
| LogP | 5.33702 |
| Topological Polar Surface Area | 149.09 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 12 |
| Exact Mass | 595.1625 |
| Heavy Atoms | 42 |
| Complexity | 1673.37 |
Chemical Identifiers
| CAS Number | 851094-06-9 |
|---|---|
| SMILES | CCOC1=CC(=CC(=C1OCC)OCC)C(=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 3,4,5-triethoxybenzoate (CAS 851094-06-9), with molecular formula C29H29N3O9S and molecular weight 595.16 g/mol. IUPAC: [3-methyl-4-(4-nitrophenyl)sulfonyl-1-phenylpyrazol-5-yl] 3,4,5-triethoxybenzoate.
Chemical Property Profile of 3-methyl-4-(4-nitrobenzenesulfonyl)-1-phenyl-1H-pyrazol-5-yl 3,4,5-triethoxybenzoate
Property Insights of 3-methyl-4-(4-nitrobenzenesulfonyl)-1-phenyl-1H-pyrazol-5-yl 3,4,5-triethoxybenzoate
The XLogP value of 5.33702 indicates that 3-methyl-4-(4-nitrobenzenesulfonyl)-1-phenyl-1H-pyrazol-5-yl 3,4,5-triethoxybenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 149.09 Ų indicates high polarity, suggesting 3-methyl-4-(4-nitrobenzenesulfonyl)-1-phenyl-1H-pyrazol-5-yl 3,4,5-triethoxybenzoate 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 3,4,5-triethoxybenzoate has 0 hydrogen bond donor(s) and 10 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 3,4,5-triethoxybenzoate?
The CAS number of 3-methyl-4-(4-nitrobenzenesulfonyl)-1-phenyl-1H-pyrazol-5-yl 3,4,5-triethoxybenzoate is 851094-06-9.
What is the molecular formula of 3-methyl-4-(4-nitrobenzenesulfonyl)-1-phenyl-1H-pyrazol-5-yl 3,4,5-triethoxybenzoate?
The molecular formula of 3-methyl-4-(4-nitrobenzenesulfonyl)-1-phenyl-1H-pyrazol-5-yl 3,4,5-triethoxybenzoate is C29H29N3O9S.
What is the molecular weight of 3-methyl-4-(4-nitrobenzenesulfonyl)-1-phenyl-1H-pyrazol-5-yl 3,4,5-triethoxybenzoate?
The molecular weight of 3-methyl-4-(4-nitrobenzenesulfonyl)-1-phenyl-1H-pyrazol-5-yl 3,4,5-triethoxybenzoate is 595.16 g/mol.
Where can I buy 3-methyl-4-(4-nitrobenzenesulfonyl)-1-phenyl-1H-pyrazol-5-yl 3,4,5-triethoxybenzoate?
You can request a quote for 3-methyl-4-(4-nitrobenzenesulfonyl)-1-phenyl-1H-pyrazol-5-yl 3,4,5-triethoxybenzoate 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 3,4,5-triethoxybenzoate?
Yes, KEHONG BIO provides custom synthesis services for 3-methyl-4-(4-nitrobenzenesulfonyl)-1-phenyl-1H-pyrazol-5-yl 3,4,5-triethoxybenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.