1-Methyl-2-oxopropyl 3-(4-chlorophenyl)-1-phenyl-1H-pyrazole-4-carboxylate
TL;DR: 1-Methyl-2-oxopropyl 3-(4-chlorophenyl)-1-phenyl-1H-pyrazole-4-carboxylate (CAS 956355-41-2) is a chemical compound with molecular formula C20H17ClN2O3 and molecular weight 368.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-oxobutan-2-yl 3-(4-chlorophenyl)-1-phenylpyrazole-4-carboxylate
Also Known As: 1-Methyl-2-oxopropyl 3-(4-chlorophenyl)-1-phenyl-1H-pyrazole-4-carboxylate, 3-oxobutan-2-yl 3-(4-chlorophenyl)-1-phenylpyrazole-4-carboxylate, 3-oxobutan-2-yl 3-(4-chlorophenyl)-1-phenyl-1H-pyrazole-4-carboxylate
| Molecular Formula | C20H17ClN2O3 |
|---|---|
| Molecular Weight | 368.09 g/mol |
| LogP | 4.327 |
| Topological Polar Surface Area | 61.19 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 368.09277 |
| Heavy Atoms | 26 |
| Complexity | 933.44995 |
Chemical Identifiers
| CAS Number | 956355-41-2 |
|---|---|
| SMILES | CC(C(=O)C)OC(=O)C1=CN(N=C1C2=CC=C(C=C2)Cl)C3=CC=CC=C3 |
Product Overview
1-Methyl-2-oxopropyl 3-(4-chlorophenyl)-1-phenyl-1H-pyrazole-4-carboxylate (CAS 956355-41-2), with molecular formula C20H17ClN2O3 and molecular weight 368.09 g/mol. IUPAC: 3-oxobutan-2-yl 3-(4-chlorophenyl)-1-phenylpyrazole-4-carboxylate.
Chemical Property Profile of 1-Methyl-2-oxopropyl 3-(4-chlorophenyl)-1-phenyl-1H-pyrazole-4-carboxylate
Property Insights of 1-Methyl-2-oxopropyl 3-(4-chlorophenyl)-1-phenyl-1H-pyrazole-4-carboxylate
The XLogP value of 4.327 indicates that 1-Methyl-2-oxopropyl 3-(4-chlorophenyl)-1-phenyl-1H-pyrazole-4-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 61.19 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Methyl-2-oxopropyl 3-(4-chlorophenyl)-1-phenyl-1H-pyrazole-4-carboxylate. Following Lipinski's Rule of Five, 1-Methyl-2-oxopropyl 3-(4-chlorophenyl)-1-phenyl-1H-pyrazole-4-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 1-Methyl-2-oxopropyl 3-(4-chlorophenyl)-1-phenyl-1H-pyrazole-4-carboxylate?
The CAS number of 1-Methyl-2-oxopropyl 3-(4-chlorophenyl)-1-phenyl-1H-pyrazole-4-carboxylate is 956355-41-2.
What is the molecular formula of 1-Methyl-2-oxopropyl 3-(4-chlorophenyl)-1-phenyl-1H-pyrazole-4-carboxylate?
The molecular formula of 1-Methyl-2-oxopropyl 3-(4-chlorophenyl)-1-phenyl-1H-pyrazole-4-carboxylate is C20H17ClN2O3.
What is the molecular weight of 1-Methyl-2-oxopropyl 3-(4-chlorophenyl)-1-phenyl-1H-pyrazole-4-carboxylate?
The molecular weight of 1-Methyl-2-oxopropyl 3-(4-chlorophenyl)-1-phenyl-1H-pyrazole-4-carboxylate is 368.09 g/mol.
Where can I buy 1-Methyl-2-oxopropyl 3-(4-chlorophenyl)-1-phenyl-1H-pyrazole-4-carboxylate?
You can request a quote for 1-Methyl-2-oxopropyl 3-(4-chlorophenyl)-1-phenyl-1H-pyrazole-4-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Methyl-2-oxopropyl 3-(4-chlorophenyl)-1-phenyl-1H-pyrazole-4-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for 1-Methyl-2-oxopropyl 3-(4-chlorophenyl)-1-phenyl-1H-pyrazole-4-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.