ethyl 5-hydroxy-3-methyl-5-(1,1,2,2,2-pentafluoroethyl)-4H-pyrazole-1-carboxylate
TL;DR: ethyl 5-hydroxy-3-methyl-5-(1,1,2,2,2-pentafluoroethyl)-4H-pyrazole-1-carboxylate (CAS 371224-03-2) is a chemical compound with molecular formula C9H11F5N2O3 and molecular weight 290.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 5-hydroxy-3-methyl-5-(1,1,2,2,2-pentafluoroethyl)-4H-pyrazole-1-carboxylate
Also Known As: ethyl 5-hydroxy-3-methyl-5-(1,1,2,2,2-pentafluoroethyl)-4H-pyrazole-1-carboxylate, ethyl 5-hydroxy-3-methyl-5-(pentafluoroethyl)-4,5-dihydro-1H-pyrazole-1-carboxylate, ethyl 5-hydroxy-3-methyl-5-(perfluoroethyl)-4,5-dihydro-1H-pyrazole-1-carboxylate
| Molecular Formula | C9H11F5N2O3 |
|---|---|
| Molecular Weight | 290.07 g/mol |
| LogP | 2.1107 |
| Topological Polar Surface Area | 62.13 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 290.06897 |
| Heavy Atoms | 19 |
| Complexity | 409.14948 |
Chemical Identifiers
| CAS Number | 371224-03-2 |
|---|---|
| SMILES | CCOC(=O)N1C(CC(=N1)C)(C(C(F)(F)F)(F)F)O |
Product Overview
ethyl 5-hydroxy-3-methyl-5-(1,1,2,2,2-pentafluoroethyl)-4H-pyrazole-1-carboxylate (CAS 371224-03-2), with molecular formula C9H11F5N2O3 and molecular weight 290.07 g/mol. IUPAC: ethyl 5-hydroxy-3-methyl-5-(1,1,2,2,2-pentafluoroethyl)-4H-pyrazole-1-carboxylate.
Chemical Property Profile of ethyl 5-hydroxy-3-methyl-5-(1,1,2,2,2-pentafluoroethyl)-4H-pyrazole-1-carboxylate
Property Insights of ethyl 5-hydroxy-3-methyl-5-(1,1,2,2,2-pentafluoroethyl)-4H-pyrazole-1-carboxylate
The XLogP value of 2.1107 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl 5-hydroxy-3-methyl-5-(1,1,2,2,2-pentafluoroethyl)-4H-pyrazole-1-carboxylate. The TPSA of 62.13 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 5-hydroxy-3-methyl-5-(1,1,2,2,2-pentafluoroethyl)-4H-pyrazole-1-carboxylate. Following Lipinski's Rule of Five, ethyl 5-hydroxy-3-methyl-5-(1,1,2,2,2-pentafluoroethyl)-4H-pyrazole-1-carboxylate has 1 hydrogen bond donor(s) and 4 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 5-hydroxy-3-methyl-5-(1,1,2,2,2-pentafluoroethyl)-4H-pyrazole-1-carboxylate?
The CAS number of ethyl 5-hydroxy-3-methyl-5-(1,1,2,2,2-pentafluoroethyl)-4H-pyrazole-1-carboxylate is 371224-03-2.
What is the molecular formula of ethyl 5-hydroxy-3-methyl-5-(1,1,2,2,2-pentafluoroethyl)-4H-pyrazole-1-carboxylate?
The molecular formula of ethyl 5-hydroxy-3-methyl-5-(1,1,2,2,2-pentafluoroethyl)-4H-pyrazole-1-carboxylate is C9H11F5N2O3.
What is the molecular weight of ethyl 5-hydroxy-3-methyl-5-(1,1,2,2,2-pentafluoroethyl)-4H-pyrazole-1-carboxylate?
The molecular weight of ethyl 5-hydroxy-3-methyl-5-(1,1,2,2,2-pentafluoroethyl)-4H-pyrazole-1-carboxylate is 290.07 g/mol.
Where can I buy ethyl 5-hydroxy-3-methyl-5-(1,1,2,2,2-pentafluoroethyl)-4H-pyrazole-1-carboxylate?
You can request a quote for ethyl 5-hydroxy-3-methyl-5-(1,1,2,2,2-pentafluoroethyl)-4H-pyrazole-1-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl 5-hydroxy-3-methyl-5-(1,1,2,2,2-pentafluoroethyl)-4H-pyrazole-1-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 5-hydroxy-3-methyl-5-(1,1,2,2,2-pentafluoroethyl)-4H-pyrazole-1-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.