1h-pyrazole-3,4-dicarboxylic Acid, 1-(3-nitrophenyl)-5-phenyl-, Diethyl Ester
TL;DR: 1h-pyrazole-3,4-dicarboxylic Acid, 1-(3-nitrophenyl)-5-phenyl-, Diethyl Ester (CAS 96722-70-2) is a chemical compound with molecular formula C21H19N3O6 and molecular weight 409.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 1-(3-nitrophenyl)-5-phenylpyrazole-3,4-dicarboxylate
Also Known As: 1h-pyrazole-3,4-dicarboxylic Acid, 1-(3-nitrophenyl)-5-phenyl-, Diethyl Ester, Diethyl 1-(3-nitrophenyl)-5-phenyl-1H-pyrazole-3,4-dicarboxylate, diethyl 1-(3-nitrophenyl)-5-phenylpyrazole-3,4-dicarboxylate, DIETHYL 1-(3-NITROPHENYL)-5-PHENYL-PYRAZOLE-3,4-DICARBOXYLATE
| Molecular Formula | C21H19N3O6 |
|---|---|
| Molecular Weight | 409.13 g/mol |
| LogP | 4.2 |
| Topological Polar Surface Area | 116.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 409.12738 |
| Heavy Atoms | 30 |
| Complexity | 618.0 |
Chemical Identifiers
| CAS Number | 96722-70-2 |
|---|---|
| SMILES | CCOC(=O)C1=C(N(N=C1C(=O)OCC)C2=CC(=CC=C2)[N+](=O)[O-])C3=CC=CC=C3 |
| InChIKey | HSOKPOHABLFBIV-UHFFFAOYSA-N |
Product Overview
1h-pyrazole-3,4-dicarboxylic Acid, 1-(3-nitrophenyl)-5-phenyl-, Diethyl Ester (CAS 96722-70-2), with molecular formula C21H19N3O6 and molecular weight 409.13 g/mol. IUPAC: diethyl 1-(3-nitrophenyl)-5-phenylpyrazole-3,4-dicarboxylate.
Chemical Property Profile of 1h-pyrazole-3,4-dicarboxylic Acid, 1-(3-nitrophenyl)-5-phenyl-, Diethyl Ester
Property Insights of 1h-pyrazole-3,4-dicarboxylic Acid, 1-(3-nitrophenyl)-5-phenyl-, Diethyl Ester
The XLogP value of 4.2 indicates that 1h-pyrazole-3,4-dicarboxylic Acid, 1-(3-nitrophenyl)-5-phenyl-, Diethyl Ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 116.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1h-pyrazole-3,4-dicarboxylic Acid, 1-(3-nitrophenyl)-5-phenyl-, Diethyl Ester. Following Lipinski's Rule of Five, 1h-pyrazole-3,4-dicarboxylic Acid, 1-(3-nitrophenyl)-5-phenyl-, Diethyl Ester has 0 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1h-pyrazole-3,4-dicarboxylic Acid, 1-(3-nitrophenyl)-5-phenyl-, Diethyl Ester?
The CAS number of 1h-pyrazole-3,4-dicarboxylic Acid, 1-(3-nitrophenyl)-5-phenyl-, Diethyl Ester is 96722-70-2.
What is the molecular formula of 1h-pyrazole-3,4-dicarboxylic Acid, 1-(3-nitrophenyl)-5-phenyl-, Diethyl Ester?
The molecular formula of 1h-pyrazole-3,4-dicarboxylic Acid, 1-(3-nitrophenyl)-5-phenyl-, Diethyl Ester is C21H19N3O6.
What is the molecular weight of 1h-pyrazole-3,4-dicarboxylic Acid, 1-(3-nitrophenyl)-5-phenyl-, Diethyl Ester?
The molecular weight of 1h-pyrazole-3,4-dicarboxylic Acid, 1-(3-nitrophenyl)-5-phenyl-, Diethyl Ester is 409.13 g/mol.
Where can I buy 1h-pyrazole-3,4-dicarboxylic Acid, 1-(3-nitrophenyl)-5-phenyl-, Diethyl Ester?
You can request a quote for 1h-pyrazole-3,4-dicarboxylic Acid, 1-(3-nitrophenyl)-5-phenyl-, Diethyl 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-(3-nitrophenyl)-5-phenyl-, Diethyl Ester?
Yes, KEHONG BIO provides custom synthesis services for 1h-pyrazole-3,4-dicarboxylic Acid, 1-(3-nitrophenyl)-5-phenyl-, Diethyl Ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.