1h-pyrazole-3,4-dicarboxylic Acid, 5-(3-bromophenyl)-1-(3-(trifluoromethyl)phenyl)-, Diethyl Ester
TL;DR: 1h-pyrazole-3,4-dicarboxylic Acid, 5-(3-bromophenyl)-1-(3-(trifluoromethyl)phenyl)-, Diethyl Ester (CAS 96722-98-4) is a chemical compound with molecular formula C22H18BrF3N2O4 and molecular weight 510.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 5-(3-bromophenyl)-1-[3-(trifluoromethyl)phenyl]pyrazole-3,4-dicarboxylate
Also Known As: 1h-pyrazole-3,4-dicarboxylic Acid, 5-(3-bromophenyl)-1-(3-(trifluoromethyl)phenyl)-, Diethyl Ester, Diethyl 5-(3-bromophenyl)-1-[3-(trifluoromethyl)phenyl]-1H-pyrazole-3,4-dicarboxylate, diethyl 5-(3-bromophenyl)-1-[3-(trifluoromethyl)phenyl]pyrazole-3,4-dicarboxylate
| Molecular Formula | C22H18BrF3N2O4 |
|---|---|
| Molecular Weight | 510.04 g/mol |
| LogP | 5.9 |
| Topological Polar Surface Area | 70.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 510.0402 |
| Heavy Atoms | 32 |
| Complexity | 666.0 |
Chemical Identifiers
| CAS Number | 96722-98-4 |
|---|---|
| SMILES | CCOC(=O)C1=C(N(N=C1C(=O)OCC)C2=CC=CC(=C2)C(F)(F)F)C3=CC(=CC=C3)Br |
| InChIKey | CCBGRZOLTPEDBO-UHFFFAOYSA-N |
Product Overview
1h-pyrazole-3,4-dicarboxylic Acid, 5-(3-bromophenyl)-1-(3-(trifluoromethyl)phenyl)-, Diethyl Ester (CAS 96722-98-4), with molecular formula C22H18BrF3N2O4 and molecular weight 510.04 g/mol. IUPAC: diethyl 5-(3-bromophenyl)-1-[3-(trifluoromethyl)phenyl]pyrazole-3,4-dicarboxylate.
Chemical Property Profile of 1h-pyrazole-3,4-dicarboxylic Acid, 5-(3-bromophenyl)-1-(3-(trifluoromethyl)phenyl)-, Diethyl Ester
Property Insights of 1h-pyrazole-3,4-dicarboxylic Acid, 5-(3-bromophenyl)-1-(3-(trifluoromethyl)phenyl)-, Diethyl Ester
The XLogP value of 5.9 indicates that 1h-pyrazole-3,4-dicarboxylic Acid, 5-(3-bromophenyl)-1-(3-(trifluoromethyl)phenyl)-, Diethyl Ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 70.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 1h-pyrazole-3,4-dicarboxylic Acid, 5-(3-bromophenyl)-1-(3-(trifluoromethyl)phenyl)-, Diethyl Ester. Following Lipinski's Rule of Five, 1h-pyrazole-3,4-dicarboxylic Acid, 5-(3-bromophenyl)-1-(3-(trifluoromethyl)phenyl)-, Diethyl Ester 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 1h-pyrazole-3,4-dicarboxylic Acid, 5-(3-bromophenyl)-1-(3-(trifluoromethyl)phenyl)-, Diethyl Ester?
The CAS number of 1h-pyrazole-3,4-dicarboxylic Acid, 5-(3-bromophenyl)-1-(3-(trifluoromethyl)phenyl)-, Diethyl Ester is 96722-98-4.
What is the molecular formula of 1h-pyrazole-3,4-dicarboxylic Acid, 5-(3-bromophenyl)-1-(3-(trifluoromethyl)phenyl)-, Diethyl Ester?
The molecular formula of 1h-pyrazole-3,4-dicarboxylic Acid, 5-(3-bromophenyl)-1-(3-(trifluoromethyl)phenyl)-, Diethyl Ester is C22H18BrF3N2O4.
What is the molecular weight of 1h-pyrazole-3,4-dicarboxylic Acid, 5-(3-bromophenyl)-1-(3-(trifluoromethyl)phenyl)-, Diethyl Ester?
The molecular weight of 1h-pyrazole-3,4-dicarboxylic Acid, 5-(3-bromophenyl)-1-(3-(trifluoromethyl)phenyl)-, Diethyl Ester is 510.04 g/mol.
Where can I buy 1h-pyrazole-3,4-dicarboxylic Acid, 5-(3-bromophenyl)-1-(3-(trifluoromethyl)phenyl)-, Diethyl Ester?
You can request a quote for 1h-pyrazole-3,4-dicarboxylic Acid, 5-(3-bromophenyl)-1-(3-(trifluoromethyl)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, 5-(3-bromophenyl)-1-(3-(trifluoromethyl)phenyl)-, Diethyl Ester?
Yes, KEHONG BIO provides custom synthesis services for 1h-pyrazole-3,4-dicarboxylic Acid, 5-(3-bromophenyl)-1-(3-(trifluoromethyl)phenyl)-, Diethyl Ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.