3-(3-chloro-4-ethoxyphenyl)-1H-pyrazole-4-carboxylic acid
TL;DR: 3-(3-chloro-4-ethoxyphenyl)-1H-pyrazole-4-carboxylic acid (CAS 879996-79-9) is a chemical compound with molecular formula C12H11ClN2O3 and molecular weight 266.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(3-chloro-4-ethoxyphenyl)-1H-pyrazole-4-carboxylic acid
Also Known As: 3-(3-chloro-4-ethoxyphenyl)-1H-pyrazole-4-carboxylic acid, 5-(3-chloro-4-ethoxyphenyl)-1H-pyrazole-4-carboxylic acid, VU0049757-1, 3-(3-chloro-4-ethoxyphenyl)-1H-pyrazole-4-carboxylicacid, 3-(3-chloro-4-ethoxy-phenyl)-2H-pyrazole-4-carboxylic Acid
| Molecular Formula | C12H11ClN2O3 |
|---|---|
| Molecular Weight | 266.05 g/mol |
| LogP | 2.827 |
| Topological Polar Surface Area | 75.21 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 266.0458 |
| Heavy Atoms | 18 |
| Complexity | 580.45154 |
Chemical Identifiers
| CAS Number | 879996-79-9 |
|---|---|
| SMILES | CCOC1=C(C=C(C=C1)C2=C(C=NN2)C(=O)O)Cl |
Product Overview
3-(3-chloro-4-ethoxyphenyl)-1H-pyrazole-4-carboxylic acid (CAS 879996-79-9), with molecular formula C12H11ClN2O3 and molecular weight 266.05 g/mol. IUPAC: 5-(3-chloro-4-ethoxyphenyl)-1H-pyrazole-4-carboxylic acid.
Chemical Property Profile of 3-(3-chloro-4-ethoxyphenyl)-1H-pyrazole-4-carboxylic acid
Property Insights of 3-(3-chloro-4-ethoxyphenyl)-1H-pyrazole-4-carboxylic acid
The XLogP value of 2.827 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(3-chloro-4-ethoxyphenyl)-1H-pyrazole-4-carboxylic acid. The TPSA of 75.21 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(3-chloro-4-ethoxyphenyl)-1H-pyrazole-4-carboxylic acid. Following Lipinski's Rule of Five, 3-(3-chloro-4-ethoxyphenyl)-1H-pyrazole-4-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-(3-chloro-4-ethoxyphenyl)-1H-pyrazole-4-carboxylic acid?
The CAS number of 3-(3-chloro-4-ethoxyphenyl)-1H-pyrazole-4-carboxylic acid is 879996-79-9.
What is the molecular formula of 3-(3-chloro-4-ethoxyphenyl)-1H-pyrazole-4-carboxylic acid?
The molecular formula of 3-(3-chloro-4-ethoxyphenyl)-1H-pyrazole-4-carboxylic acid is C12H11ClN2O3.
What is the molecular weight of 3-(3-chloro-4-ethoxyphenyl)-1H-pyrazole-4-carboxylic acid?
The molecular weight of 3-(3-chloro-4-ethoxyphenyl)-1H-pyrazole-4-carboxylic acid is 266.05 g/mol.
Where can I buy 3-(3-chloro-4-ethoxyphenyl)-1H-pyrazole-4-carboxylic acid?
You can request a quote for 3-(3-chloro-4-ethoxyphenyl)-1H-pyrazole-4-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-(3-chloro-4-ethoxyphenyl)-1H-pyrazole-4-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-(3-chloro-4-ethoxyphenyl)-1H-pyrazole-4-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.