Ethyl 1-(2-(4-chlorophenyl)-2-oxoethyl)-3-methyl-1H-pyrazole-5-carboxylate
TL;DR: Ethyl 1-(2-(4-chlorophenyl)-2-oxoethyl)-3-methyl-1H-pyrazole-5-carboxylate (CAS 618070-40-9) is a chemical compound with molecular formula C15H15ClN2O3 and molecular weight 306.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[2-(4-chlorophenyl)-2-oxoethyl]-5-methylpyrazole-3-carboxylate
Also Known As: Ethyl 1-(2-(4-chlorophenyl)-2-oxoethyl)-3-methyl-1H-pyrazole-5-carboxylate, ethyl 2-[2-(4-chlorophenyl)-2-oxoethyl]-5-methylpyrazole-3-carboxylate, Ethyl 2-[2-(4-chlorophenyl)-2-oxo-ethyl]-5-methyl-pyrazole-3-carboxylate, 1-[2-(4-chlorophenyl)-2-oxoethyl]-3-methyl-1H-Pyrazole-5-carboxylic acid ethyl ester, 632-202-5
| Molecular Formula | C15H15ClN2O3 |
|---|---|
| Molecular Weight | 306.08 g/mol |
| LogP | 2.90452 |
| Topological Polar Surface Area | 61.19 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 306.07712 |
| Heavy Atoms | 21 |
| Complexity | 662.0583 |
Chemical Identifiers
| CAS Number | 618070-40-9 |
|---|---|
| SMILES | CCOC(=O)C1=CC(=NN1CC(=O)C2=CC=C(C=C2)Cl)C |
Product Overview
Ethyl 1-(2-(4-chlorophenyl)-2-oxoethyl)-3-methyl-1H-pyrazole-5-carboxylate (CAS 618070-40-9), with molecular formula C15H15ClN2O3 and molecular weight 306.08 g/mol. IUPAC: ethyl 2-[2-(4-chlorophenyl)-2-oxoethyl]-5-methylpyrazole-3-carboxylate.
Chemical Property Profile of Ethyl 1-(2-(4-chlorophenyl)-2-oxoethyl)-3-methyl-1H-pyrazole-5-carboxylate
Property Insights of Ethyl 1-(2-(4-chlorophenyl)-2-oxoethyl)-3-methyl-1H-pyrazole-5-carboxylate
The XLogP value of 2.90452 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 1-(2-(4-chlorophenyl)-2-oxoethyl)-3-methyl-1H-pyrazole-5-carboxylate. The TPSA of 61.19 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 1-(2-(4-chlorophenyl)-2-oxoethyl)-3-methyl-1H-pyrazole-5-carboxylate. Following Lipinski's Rule of Five, Ethyl 1-(2-(4-chlorophenyl)-2-oxoethyl)-3-methyl-1H-pyrazole-5-carboxylate has 0 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 1-(2-(4-chlorophenyl)-2-oxoethyl)-3-methyl-1H-pyrazole-5-carboxylate?
The CAS number of Ethyl 1-(2-(4-chlorophenyl)-2-oxoethyl)-3-methyl-1H-pyrazole-5-carboxylate is 618070-40-9.
What is the molecular formula of Ethyl 1-(2-(4-chlorophenyl)-2-oxoethyl)-3-methyl-1H-pyrazole-5-carboxylate?
The molecular formula of Ethyl 1-(2-(4-chlorophenyl)-2-oxoethyl)-3-methyl-1H-pyrazole-5-carboxylate is C15H15ClN2O3.
What is the molecular weight of Ethyl 1-(2-(4-chlorophenyl)-2-oxoethyl)-3-methyl-1H-pyrazole-5-carboxylate?
The molecular weight of Ethyl 1-(2-(4-chlorophenyl)-2-oxoethyl)-3-methyl-1H-pyrazole-5-carboxylate is 306.08 g/mol.
Where can I buy Ethyl 1-(2-(4-chlorophenyl)-2-oxoethyl)-3-methyl-1H-pyrazole-5-carboxylate?
You can request a quote for Ethyl 1-(2-(4-chlorophenyl)-2-oxoethyl)-3-methyl-1H-pyrazole-5-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-(4-chlorophenyl)-2-oxoethyl)-3-methyl-1H-pyrazole-5-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 1-(2-(4-chlorophenyl)-2-oxoethyl)-3-methyl-1H-pyrazole-5-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.