Ethyl 1-(2-fluorophenyl)-4-hydroxypyrazole-3-carboxylate
TL;DR: Ethyl 1-(2-fluorophenyl)-4-hydroxypyrazole-3-carboxylate (CAS 379238-80-9) is a chemical compound with molecular formula C12H11FN2O3 and molecular weight 250.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 1-(2-fluorophenyl)-4-hydroxypyrazole-3-carboxylate
Also Known As: ethyl 1-(2-fluorophenyl)-4-hydroxypyrazole-3-carboxylate, F1174-0983, ethyl 1-(2-fluorophenyl)-4-hydroxy-1H-pyrazole-3-carboxylate, AF-399/40831387, 1H-Pyrazole-3-carboxylic acid, 1-(2-fluorophenyl)-4-hydroxy-, ethyl ester
| Molecular Formula | C12H11FN2O3 |
|---|---|
| Molecular Weight | 250.08 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 64.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 250.07536 |
| Heavy Atoms | 18 |
| Complexity | 303.0 |
Chemical Identifiers
| CAS Number | 379238-80-9 |
|---|---|
| SMILES | CCOC(=O)C1=NN(C=C1O)C2=CC=CC=C2F |
| InChIKey | DCXSDXNIAZNONG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethyl 1-(2-fluorophenyl)-4-hydroxypyrazole-3-carboxylate (CAS 379238-80-9), with molecular formula C12H11FN2O3 and molecular weight 250.08 g/mol. IUPAC: ethyl 1-(2-fluorophenyl)-4-hydroxypyrazole-3-carboxylate.
Chemical Property Profile of Ethyl 1-(2-fluorophenyl)-4-hydroxypyrazole-3-carboxylate
Property Insights of Ethyl 1-(2-fluorophenyl)-4-hydroxypyrazole-3-carboxylate
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 1-(2-fluorophenyl)-4-hydroxypyrazole-3-carboxylate. The TPSA of 64.4 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 1-(2-fluorophenyl)-4-hydroxypyrazole-3-carboxylate. Following Lipinski's Rule of Five, Ethyl 1-(2-fluorophenyl)-4-hydroxypyrazole-3-carboxylate has 1 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 Ethyl 1-(2-fluorophenyl)-4-hydroxypyrazole-3-carboxylate?
The CAS number of Ethyl 1-(2-fluorophenyl)-4-hydroxypyrazole-3-carboxylate is 379238-80-9.
What is the molecular formula of Ethyl 1-(2-fluorophenyl)-4-hydroxypyrazole-3-carboxylate?
The molecular formula of Ethyl 1-(2-fluorophenyl)-4-hydroxypyrazole-3-carboxylate is C12H11FN2O3.
What is the molecular weight of Ethyl 1-(2-fluorophenyl)-4-hydroxypyrazole-3-carboxylate?
The molecular weight of Ethyl 1-(2-fluorophenyl)-4-hydroxypyrazole-3-carboxylate is 250.08 g/mol.
Where can I buy Ethyl 1-(2-fluorophenyl)-4-hydroxypyrazole-3-carboxylate?
You can request a quote for Ethyl 1-(2-fluorophenyl)-4-hydroxypyrazole-3-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 1-(2-fluorophenyl)-4-hydroxypyrazole-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 1-(2-fluorophenyl)-4-hydroxypyrazole-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.