1-Phenyl-1H-pyrazole-3,5-dicarboxylic acid
TL;DR: 1-Phenyl-1H-pyrazole-3,5-dicarboxylic acid (CAS 6453-44-7) is a chemical compound with molecular formula C11H8N2O4 and molecular weight 232.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-phenylpyrazole-3,5-dicarboxylic acid
Also Known As: 1-Phenyl-1H-pyrazole-3,5-dicarboxylic acid, 1-phenylpyrazole-3,5-dicarboxylic Acid, AO-181/25113060, InChI=1/C11H8N2O4/c14-10(15)8-6-9(11(16)17)13(12-8)7-4-2-1-3-5-7/h1-6H,(H,14,15)(H,16,17
| Molecular Formula | C11H8N2O4 |
|---|---|
| Molecular Weight | 232.05 g/mol |
| LogP | 1.2687 |
| Topological Polar Surface Area | 92.42 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 232.0484 |
| Heavy Atoms | 17 |
| Complexity | 574.4123 |
Chemical Identifiers
| CAS Number | 6453-44-7 |
|---|---|
| SMILES | C1=CC=C(C=C1)N2C(=CC(=N2)C(=O)O)C(=O)O |
Product Overview
1-Phenyl-1H-pyrazole-3,5-dicarboxylic acid (CAS 6453-44-7), with molecular formula C11H8N2O4 and molecular weight 232.05 g/mol. IUPAC: 1-phenylpyrazole-3,5-dicarboxylic acid.
Chemical Property Profile of 1-Phenyl-1H-pyrazole-3,5-dicarboxylic acid
Property Insights of 1-Phenyl-1H-pyrazole-3,5-dicarboxylic acid
The XLogP value of 1.2687 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Phenyl-1H-pyrazole-3,5-dicarboxylic acid. The TPSA of 92.42 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Phenyl-1H-pyrazole-3,5-dicarboxylic acid. Following Lipinski's Rule of Five, 1-Phenyl-1H-pyrazole-3,5-dicarboxylic acid has 2 hydrogen bond donor(s) and 3 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 1-Phenyl-1H-pyrazole-3,5-dicarboxylic acid?
The CAS number of 1-Phenyl-1H-pyrazole-3,5-dicarboxylic acid is 6453-44-7.
What is the molecular formula of 1-Phenyl-1H-pyrazole-3,5-dicarboxylic acid?
The molecular formula of 1-Phenyl-1H-pyrazole-3,5-dicarboxylic acid is C11H8N2O4.
What is the molecular weight of 1-Phenyl-1H-pyrazole-3,5-dicarboxylic acid?
The molecular weight of 1-Phenyl-1H-pyrazole-3,5-dicarboxylic acid is 232.05 g/mol.
Where can I buy 1-Phenyl-1H-pyrazole-3,5-dicarboxylic acid?
You can request a quote for 1-Phenyl-1H-pyrazole-3,5-dicarboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Phenyl-1H-pyrazole-3,5-dicarboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 1-Phenyl-1H-pyrazole-3,5-dicarboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.