1H-Pyrazole-3,4-dicarboxylic acid, 1-(4-(ethoxycarbonyl)phenyl)-5-phenyl-, 3-(1,1-dimethylethyl) 4-ethyl ester
TL;DR: 1H-Pyrazole-3,4-dicarboxylic acid, 1-(4-(ethoxycarbonyl)phenyl)-5-phenyl-, 3-(1,1-dimethylethyl) 4-ethyl ester (CAS 96722-91-7) is a chemical compound with molecular formula C26H28N2O6 and molecular weight 464.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-O-tert-butyl 4-O-ethyl 1-(4-ethoxycarbonylphenyl)-5-phenylpyrazole-3,4-dicarboxylate
Also Known As: 1H-Pyrazole-3,4-dicarboxylic acid, 1-(4-(ethoxycarbonyl)phenyl)-5-phenyl-, 3-(1,1-dimethylethyl) 4-ethyl ester, 3-O-tert-butyl 4-O-ethyl 1-(4-ethoxycarbonylphenyl)-5-phenylpyrazole-3,4-dicarboxylate, 3-tert-Butyl 4-ethyl 1-[4-(ethoxycarbonyl)phenyl]-5-phenyl-1H-pyrazole-3,4-dicarboxylate, Ethyl Tert-butyl 1-(4-ethoxycarbonylphenyl)-5-phenyl-pyrazole-3,4-dicarboxylate, TERT-BUTYL ETHYL 1-(4-ETHOXYCARBONYLPHENYL)-5-PHENYL-PYRAZOLE-3,4-DICARBOXYLATE
| Molecular Formula | C26H28N2O6 |
|---|---|
| Molecular Weight | 464.19 g/mol |
| LogP | 5.2 |
| Topological Polar Surface Area | 96.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 11 |
| Exact Mass | 464.19473 |
| Heavy Atoms | 34 |
| Complexity | 707.0 |
Chemical Identifiers
| CAS Number | 96722-91-7 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)N2C(=C(C(=N2)C(=O)OC(C)(C)C)C(=O)OCC)C3=CC=CC=C3 |
| InChIKey | OZTKXFXEUKGGOJ-UHFFFAOYSA-N |
Product Overview
1H-Pyrazole-3,4-dicarboxylic acid, 1-(4-(ethoxycarbonyl)phenyl)-5-phenyl-, 3-(1,1-dimethylethyl) 4-ethyl ester (CAS 96722-91-7), with molecular formula C26H28N2O6 and molecular weight 464.19 g/mol. IUPAC: 3-O-tert-butyl 4-O-ethyl 1-(4-ethoxycarbonylphenyl)-5-phenylpyrazole-3,4-dicarboxylate.
Chemical Property Profile of 1H-Pyrazole-3,4-dicarboxylic acid, 1-(4-(ethoxycarbonyl)phenyl)-5-phenyl-, 3-(1,1-dimethylethyl) 4-ethyl ester
Property Insights of 1H-Pyrazole-3,4-dicarboxylic acid, 1-(4-(ethoxycarbonyl)phenyl)-5-phenyl-, 3-(1,1-dimethylethyl) 4-ethyl ester
The XLogP value of 5.2 indicates that 1H-Pyrazole-3,4-dicarboxylic acid, 1-(4-(ethoxycarbonyl)phenyl)-5-phenyl-, 3-(1,1-dimethylethyl) 4-ethyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 96.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 1H-Pyrazole-3,4-dicarboxylic acid, 1-(4-(ethoxycarbonyl)phenyl)-5-phenyl-, 3-(1,1-dimethylethyl) 4-ethyl ester. Following Lipinski's Rule of Five, 1H-Pyrazole-3,4-dicarboxylic acid, 1-(4-(ethoxycarbonyl)phenyl)-5-phenyl-, 3-(1,1-dimethylethyl) 4-ethyl ester 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 1H-Pyrazole-3,4-dicarboxylic acid, 1-(4-(ethoxycarbonyl)phenyl)-5-phenyl-, 3-(1,1-dimethylethyl) 4-ethyl ester?
The CAS number of 1H-Pyrazole-3,4-dicarboxylic acid, 1-(4-(ethoxycarbonyl)phenyl)-5-phenyl-, 3-(1,1-dimethylethyl) 4-ethyl ester is 96722-91-7.
What is the molecular formula of 1H-Pyrazole-3,4-dicarboxylic acid, 1-(4-(ethoxycarbonyl)phenyl)-5-phenyl-, 3-(1,1-dimethylethyl) 4-ethyl ester?
The molecular formula of 1H-Pyrazole-3,4-dicarboxylic acid, 1-(4-(ethoxycarbonyl)phenyl)-5-phenyl-, 3-(1,1-dimethylethyl) 4-ethyl ester is C26H28N2O6.
What is the molecular weight of 1H-Pyrazole-3,4-dicarboxylic acid, 1-(4-(ethoxycarbonyl)phenyl)-5-phenyl-, 3-(1,1-dimethylethyl) 4-ethyl ester?
The molecular weight of 1H-Pyrazole-3,4-dicarboxylic acid, 1-(4-(ethoxycarbonyl)phenyl)-5-phenyl-, 3-(1,1-dimethylethyl) 4-ethyl ester is 464.19 g/mol.
Where can I buy 1H-Pyrazole-3,4-dicarboxylic acid, 1-(4-(ethoxycarbonyl)phenyl)-5-phenyl-, 3-(1,1-dimethylethyl) 4-ethyl ester?
You can request a quote for 1H-Pyrazole-3,4-dicarboxylic acid, 1-(4-(ethoxycarbonyl)phenyl)-5-phenyl-, 3-(1,1-dimethylethyl) 4-ethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1H-Pyrazole-3,4-dicarboxylic acid, 1-(4-(ethoxycarbonyl)phenyl)-5-phenyl-, 3-(1,1-dimethylethyl) 4-ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for 1H-Pyrazole-3,4-dicarboxylic acid, 1-(4-(ethoxycarbonyl)phenyl)-5-phenyl-, 3-(1,1-dimethylethyl) 4-ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.