1h-pyrazole-3,4-dicarboxylic Acid, 5-(3-bromophenyl)-1-(3-(trifluoromethyl)phenyl)-
TL;DR: 1h-pyrazole-3,4-dicarboxylic Acid, 5-(3-bromophenyl)-1-(3-(trifluoromethyl)phenyl)- (CAS 96734-60-0) is a chemical compound with molecular formula C18H10BrF3N2O4 and molecular weight 453.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(3-bromophenyl)-1-[3-(trifluoromethyl)phenyl]pyrazole-3,4-dicarboxylic acid
Also Known As: 1h-pyrazole-3,4-dicarboxylic Acid, 5-(3-bromophenyl)-1-(3-(trifluoromethyl)phenyl)-, 5-(3-bromophenyl)-1-[3-(trifluoromethyl)phenyl]-1H-pyrazole-3,4-dicarboxylic acid, 5-(3-bromophenyl)-1-[3-(trifluoromethyl)phenyl]pyrazole-3,4-dicarboxylic acid
| Molecular Formula | C18H10BrF3N2O4 |
|---|---|
| Molecular Weight | 453.98 g/mol |
| LogP | 4.5 |
| Topological Polar Surface Area | 92.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 4 |
| Exact Mass | 453.9776 |
| Heavy Atoms | 28 |
| Complexity | 606.0 |
Chemical Identifiers
| CAS Number | 96734-60-0 |
|---|---|
| SMILES | C1=CC(=CC(=C1)Br)C2=C(C(=NN2C3=CC=CC(=C3)C(F)(F)F)C(=O)O)C(=O)O |
| InChIKey | HPQNRAOSPBUCRH-UHFFFAOYSA-N |
Product Overview
1h-pyrazole-3,4-dicarboxylic Acid, 5-(3-bromophenyl)-1-(3-(trifluoromethyl)phenyl)- (CAS 96734-60-0), with molecular formula C18H10BrF3N2O4 and molecular weight 453.98 g/mol. IUPAC: 5-(3-bromophenyl)-1-[3-(trifluoromethyl)phenyl]pyrazole-3,4-dicarboxylic acid.
Chemical Property Profile of 1h-pyrazole-3,4-dicarboxylic Acid, 5-(3-bromophenyl)-1-(3-(trifluoromethyl)phenyl)-
Property Insights of 1h-pyrazole-3,4-dicarboxylic Acid, 5-(3-bromophenyl)-1-(3-(trifluoromethyl)phenyl)-
The XLogP value of 4.5 indicates that 1h-pyrazole-3,4-dicarboxylic Acid, 5-(3-bromophenyl)-1-(3-(trifluoromethyl)phenyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 92.4 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)-. Following Lipinski's Rule of Five, 1h-pyrazole-3,4-dicarboxylic Acid, 5-(3-bromophenyl)-1-(3-(trifluoromethyl)phenyl)- has 2 hydrogen bond donor(s) and 8 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, 5-(3-bromophenyl)-1-(3-(trifluoromethyl)phenyl)-?
The CAS number of 1h-pyrazole-3,4-dicarboxylic Acid, 5-(3-bromophenyl)-1-(3-(trifluoromethyl)phenyl)- is 96734-60-0.
What is the molecular formula of 1h-pyrazole-3,4-dicarboxylic Acid, 5-(3-bromophenyl)-1-(3-(trifluoromethyl)phenyl)-?
The molecular formula of 1h-pyrazole-3,4-dicarboxylic Acid, 5-(3-bromophenyl)-1-(3-(trifluoromethyl)phenyl)- is C18H10BrF3N2O4.
What is the molecular weight of 1h-pyrazole-3,4-dicarboxylic Acid, 5-(3-bromophenyl)-1-(3-(trifluoromethyl)phenyl)-?
The molecular weight of 1h-pyrazole-3,4-dicarboxylic Acid, 5-(3-bromophenyl)-1-(3-(trifluoromethyl)phenyl)- is 453.98 g/mol.
Where can I buy 1h-pyrazole-3,4-dicarboxylic Acid, 5-(3-bromophenyl)-1-(3-(trifluoromethyl)phenyl)-?
You can request a quote for 1h-pyrazole-3,4-dicarboxylic Acid, 5-(3-bromophenyl)-1-(3-(trifluoromethyl)phenyl)- 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)-?
Yes, KEHONG BIO provides custom synthesis services for 1h-pyrazole-3,4-dicarboxylic Acid, 5-(3-bromophenyl)-1-(3-(trifluoromethyl)phenyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.