3-(2-butoxyphenyl)-1H-pyrazole-5-carboxylic acid
TL;DR: 3-(2-butoxyphenyl)-1H-pyrazole-5-carboxylic acid (CAS 220239-66-7) is a chemical compound with molecular formula C14H16N2O3 and molecular weight 260.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(2-butoxyphenyl)-1H-pyrazole-5-carboxylic acid
Also Known As: 3-(2-butoxyphenyl)-1H-pyrazole-5-carboxylic acid, 3-(Trifluoromethoxy)thiophenol, 5-(2-Butoxy-phenyl)-2H-pyrazole-3-carboxylic acid, 2616AF, BAS 10517226
| Molecular Formula | C14H16N2O3 |
|---|---|
| Molecular Weight | 260.12 g/mol |
| LogP | 2.9538 |
| Topological Polar Surface Area | 75.21 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 260.1161 |
| Heavy Atoms | 19 |
| Complexity | 563.32367 |
Chemical Identifiers
| CAS Number | 220239-66-7 |
|---|---|
| SMILES | CCCCOC1=CC=CC=C1C2=NNC(=C2)C(=O)O |
Product Overview
3-(2-butoxyphenyl)-1H-pyrazole-5-carboxylic acid (CAS 220239-66-7), with molecular formula C14H16N2O3 and molecular weight 260.12 g/mol. IUPAC: 3-(2-butoxyphenyl)-1H-pyrazole-5-carboxylic acid.
Chemical Property Profile of 3-(2-butoxyphenyl)-1H-pyrazole-5-carboxylic acid
Property Insights of 3-(2-butoxyphenyl)-1H-pyrazole-5-carboxylic acid
The XLogP value of 2.9538 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(2-butoxyphenyl)-1H-pyrazole-5-carboxylic acid. The TPSA of 75.21 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(2-butoxyphenyl)-1H-pyrazole-5-carboxylic acid. Following Lipinski's Rule of Five, 3-(2-butoxyphenyl)-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-(2-butoxyphenyl)-1H-pyrazole-5-carboxylic acid?
The CAS number of 3-(2-butoxyphenyl)-1H-pyrazole-5-carboxylic acid is 220239-66-7.
What is the molecular formula of 3-(2-butoxyphenyl)-1H-pyrazole-5-carboxylic acid?
The molecular formula of 3-(2-butoxyphenyl)-1H-pyrazole-5-carboxylic acid is C14H16N2O3.
What is the molecular weight of 3-(2-butoxyphenyl)-1H-pyrazole-5-carboxylic acid?
The molecular weight of 3-(2-butoxyphenyl)-1H-pyrazole-5-carboxylic acid is 260.12 g/mol.
Where can I buy 3-(2-butoxyphenyl)-1H-pyrazole-5-carboxylic acid?
You can request a quote for 3-(2-butoxyphenyl)-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-(2-butoxyphenyl)-1H-pyrazole-5-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-(2-butoxyphenyl)-1H-pyrazole-5-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.