1h-pyrazole-3,4-dicarboxylic Acid, 1-(4-butylphenyl)-5-phenyl-
TL;DR: 1h-pyrazole-3,4-dicarboxylic Acid, 1-(4-butylphenyl)-5-phenyl- (CAS 96734-54-2) is a chemical compound with molecular formula C21H20N2O4 and molecular weight 364.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-butylphenyl)-5-phenylpyrazole-3,4-dicarboxylic acid
Also Known As: 1h-pyrazole-3,4-dicarboxylic Acid, 1-(4-butylphenyl)-5-phenyl-, 1-(4-butylphenyl)-5-phenylpyrazole-3,4-dicarboxylic acid, 1-(4-Butylphenyl)-5-phenyl-1H-pyrazole-3,4-dicarboxylic acid
| Molecular Formula | C21H20N2O4 |
|---|---|
| Molecular Weight | 364.14 g/mol |
| LogP | 4.8 |
| Topological Polar Surface Area | 92.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 364.1423 |
| Heavy Atoms | 27 |
| Complexity | 512.0 |
Chemical Identifiers
| CAS Number | 96734-54-2 |
|---|---|
| SMILES | CCCCC1=CC=C(C=C1)N2C(=C(C(=N2)C(=O)O)C(=O)O)C3=CC=CC=C3 |
| InChIKey | GFZAMUBVERRRPG-UHFFFAOYSA-N |
Product Overview
1h-pyrazole-3,4-dicarboxylic Acid, 1-(4-butylphenyl)-5-phenyl- (CAS 96734-54-2), with molecular formula C21H20N2O4 and molecular weight 364.14 g/mol. IUPAC: 1-(4-butylphenyl)-5-phenylpyrazole-3,4-dicarboxylic acid.
Chemical Property Profile of 1h-pyrazole-3,4-dicarboxylic Acid, 1-(4-butylphenyl)-5-phenyl-
Property Insights of 1h-pyrazole-3,4-dicarboxylic Acid, 1-(4-butylphenyl)-5-phenyl-
The XLogP value of 4.8 indicates that 1h-pyrazole-3,4-dicarboxylic Acid, 1-(4-butylphenyl)-5-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, 1-(4-butylphenyl)-5-phenyl-. Following Lipinski's Rule of Five, 1h-pyrazole-3,4-dicarboxylic Acid, 1-(4-butylphenyl)-5-phenyl- has 2 hydrogen bond donor(s) and 5 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-(4-butylphenyl)-5-phenyl-?
The CAS number of 1h-pyrazole-3,4-dicarboxylic Acid, 1-(4-butylphenyl)-5-phenyl- is 96734-54-2.
What is the molecular formula of 1h-pyrazole-3,4-dicarboxylic Acid, 1-(4-butylphenyl)-5-phenyl-?
The molecular formula of 1h-pyrazole-3,4-dicarboxylic Acid, 1-(4-butylphenyl)-5-phenyl- is C21H20N2O4.
What is the molecular weight of 1h-pyrazole-3,4-dicarboxylic Acid, 1-(4-butylphenyl)-5-phenyl-?
The molecular weight of 1h-pyrazole-3,4-dicarboxylic Acid, 1-(4-butylphenyl)-5-phenyl- is 364.14 g/mol.
Where can I buy 1h-pyrazole-3,4-dicarboxylic Acid, 1-(4-butylphenyl)-5-phenyl-?
You can request a quote for 1h-pyrazole-3,4-dicarboxylic Acid, 1-(4-butylphenyl)-5-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, 1-(4-butylphenyl)-5-phenyl-?
Yes, KEHONG BIO provides custom synthesis services for 1h-pyrazole-3,4-dicarboxylic Acid, 1-(4-butylphenyl)-5-phenyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.