ethyl 5-hydroxy-1-phenyl-1H-pyrazole-3-carboxylate
TL;DR: ethyl 5-hydroxy-1-phenyl-1H-pyrazole-3-carboxylate (CAS 28710-96-5) is a chemical compound with molecular formula C12H12N2O3 and molecular weight 232.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-oxo-2-phenyl-1H-pyrazole-5-carboxylate
Also Known As: ATCP, CARBETHOXYPYRAZOLONE, 1-phenyl-3-carbethoxy-5-pyrazolone, ENANTHICACIDSODIUMSALT, 1-Phenyl-3-carbethoxypyrazolone
| Molecular Formula | C12H12N2O3 |
|---|---|
| Molecular Weight | 232.08 g/mol |
| LogP | 1.3423 |
| Topological Polar Surface Area | 64.09 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 232.0848 |
| Heavy Atoms | 17 |
| Complexity | 568.9367 |
Chemical Identifiers
| CAS Number | 28710-96-5 |
|---|---|
| SMILES | CCOC(=O)C1=CC(=O)N(N1)C2=CC=CC=C2 |
Product Overview
ethyl 5-hydroxy-1-phenyl-1H-pyrazole-3-carboxylate (CAS 28710-96-5), with molecular formula C12H12N2O3 and molecular weight 232.08 g/mol. IUPAC: ethyl 3-oxo-2-phenyl-1H-pyrazole-5-carboxylate.
Chemical Property Profile of ethyl 5-hydroxy-1-phenyl-1H-pyrazole-3-carboxylate
Property Insights of ethyl 5-hydroxy-1-phenyl-1H-pyrazole-3-carboxylate
The XLogP value of 1.3423 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl 5-hydroxy-1-phenyl-1H-pyrazole-3-carboxylate. The TPSA of 64.09 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 5-hydroxy-1-phenyl-1H-pyrazole-3-carboxylate. Following Lipinski's Rule of Five, ethyl 5-hydroxy-1-phenyl-1H-pyrazole-3-carboxylate has 1 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 ethyl 5-hydroxy-1-phenyl-1H-pyrazole-3-carboxylate?
The CAS number of ethyl 5-hydroxy-1-phenyl-1H-pyrazole-3-carboxylate is 28710-96-5.
What is the molecular formula of ethyl 5-hydroxy-1-phenyl-1H-pyrazole-3-carboxylate?
The molecular formula of ethyl 5-hydroxy-1-phenyl-1H-pyrazole-3-carboxylate is C12H12N2O3.
What is the molecular weight of ethyl 5-hydroxy-1-phenyl-1H-pyrazole-3-carboxylate?
The molecular weight of ethyl 5-hydroxy-1-phenyl-1H-pyrazole-3-carboxylate is 232.08 g/mol.
Where can I buy ethyl 5-hydroxy-1-phenyl-1H-pyrazole-3-carboxylate?
You can request a quote for ethyl 5-hydroxy-1-phenyl-1H-pyrazole-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 5-hydroxy-1-phenyl-1H-pyrazole-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 5-hydroxy-1-phenyl-1H-pyrazole-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.