3-(4-phenoxyphenyl)-1H-pyrazole-5-carboxylic acid
TL;DR: 3-(4-phenoxyphenyl)-1H-pyrazole-5-carboxylic acid (CAS 1039047-98-7) is a chemical compound with molecular formula C16H12N2O3 and molecular weight 280.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-phenoxyphenyl)-1H-pyrazole-5-carboxylic acid
Also Known As: 3-(4-phenoxyphenyl)-1H-pyrazole-5-carboxylic acid, 5-(4-Phenoxyphenyl)-1H-pyrazole-3-carboxylic Acid, 5-(4-phenoxyphenyl)-2H-pyrazole-3-carboxylic Acid
| Molecular Formula | C16H12N2O3 |
|---|---|
| Molecular Weight | 280.08 g/mol |
| LogP | 3.5672 |
| Topological Polar Surface Area | 75.21 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 280.08478 |
| Heavy Atoms | 21 |
| Complexity | 748.70795 |
Chemical Identifiers
| CAS Number | 1039047-98-7 |
|---|---|
| SMILES | C1=CC=C(C=C1)OC2=CC=C(C=C2)C3=NNC(=C3)C(=O)O |
Product Overview
3-(4-phenoxyphenyl)-1H-pyrazole-5-carboxylic acid (CAS 1039047-98-7), with molecular formula C16H12N2O3 and molecular weight 280.08 g/mol. IUPAC: 3-(4-phenoxyphenyl)-1H-pyrazole-5-carboxylic acid.
Chemical Property Profile of 3-(4-phenoxyphenyl)-1H-pyrazole-5-carboxylic acid
Property Insights of 3-(4-phenoxyphenyl)-1H-pyrazole-5-carboxylic acid
The XLogP value of 3.5672 indicates that 3-(4-phenoxyphenyl)-1H-pyrazole-5-carboxylic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 75.21 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(4-phenoxyphenyl)-1H-pyrazole-5-carboxylic acid. Following Lipinski's Rule of Five, 3-(4-phenoxyphenyl)-1H-pyrazole-5-carboxylic 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 3-(4-phenoxyphenyl)-1H-pyrazole-5-carboxylic acid?
The CAS number of 3-(4-phenoxyphenyl)-1H-pyrazole-5-carboxylic acid is 1039047-98-7.
What is the molecular formula of 3-(4-phenoxyphenyl)-1H-pyrazole-5-carboxylic acid?
The molecular formula of 3-(4-phenoxyphenyl)-1H-pyrazole-5-carboxylic acid is C16H12N2O3.
What is the molecular weight of 3-(4-phenoxyphenyl)-1H-pyrazole-5-carboxylic acid?
The molecular weight of 3-(4-phenoxyphenyl)-1H-pyrazole-5-carboxylic acid is 280.08 g/mol.
Where can I buy 3-(4-phenoxyphenyl)-1H-pyrazole-5-carboxylic acid?
You can request a quote for 3-(4-phenoxyphenyl)-1H-pyrazole-5-carboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(4-phenoxyphenyl)-1H-pyrazole-5-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-(4-phenoxyphenyl)-1H-pyrazole-5-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.