(1-(4-Chlorophenyl)-3-(3-hydroxy-2-quinoxalinyl)-1H-pyrazol-5-yl)methyl acetate
TL;DR: (1-(4-Chlorophenyl)-3-(3-hydroxy-2-quinoxalinyl)-1H-pyrazol-5-yl)methyl acetate (CAS 66940-28-1) is a chemical compound with molecular formula C20H15ClN4O3 and molecular weight 394.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[1-(4-chlorophenyl)-3-(3-oxo-4H-quinoxalin-2-yl)pyrazol-5-yl]methyl acetate
Also Known As: (1-(4-Chlorophenyl)-3-(3-hydroxy-2-quinoxalinyl)-1H-pyrazol-5-yl)methyl acetate, (1-(4-Chlorophenyl)-3-(3-oxo-3,4-dihydroquinoxalin-2-yl)-1H-pyrazol-5-yl)methyl acetate, [(5E)-2-(4-chlorophenyl)-5-(3-oxoquinoxalin-2-ylidene)-1H-py, [(5E)-2-(4-chlorophenyl)-5-(3-oxoquinoxalin-2-ylidene)-1H-pyrazol-3-yl]methyl acetate, [1-(4-chlorophenyl)-3-(3-oxo-3,4-dihydroquinoxalin-2-yl)-1H-pyrazol-5-yl]methyl acetate
| Molecular Formula | C20H15ClN4O3 |
|---|---|
| Molecular Weight | 394.08 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 85.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 394.08328 |
| Heavy Atoms | 28 |
| Complexity | 635.0 |
Chemical Identifiers
| CAS Number | 66940-28-1 |
|---|---|
| SMILES | CC(=O)OCC1=CC(=NN1C2=CC=C(C=C2)Cl)C3=NC4=CC=CC=C4NC3=O |
| InChIKey | RITSXOYLEZQQKE-UHFFFAOYSA-N |
Product Overview
(1-(4-Chlorophenyl)-3-(3-hydroxy-2-quinoxalinyl)-1H-pyrazol-5-yl)methyl acetate (CAS 66940-28-1), with molecular formula C20H15ClN4O3 and molecular weight 394.08 g/mol. IUPAC: [1-(4-chlorophenyl)-3-(3-oxo-4H-quinoxalin-2-yl)pyrazol-5-yl]methyl acetate.
Chemical Property Profile of (1-(4-Chlorophenyl)-3-(3-hydroxy-2-quinoxalinyl)-1H-pyrazol-5-yl)methyl acetate
Property Insights of (1-(4-Chlorophenyl)-3-(3-hydroxy-2-quinoxalinyl)-1H-pyrazol-5-yl)methyl acetate
The XLogP value of 3.0 indicates that (1-(4-Chlorophenyl)-3-(3-hydroxy-2-quinoxalinyl)-1H-pyrazol-5-yl)methyl acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 85.6 Ų falls within the moderate polarity range, balancing permeability and solubility for (1-(4-Chlorophenyl)-3-(3-hydroxy-2-quinoxalinyl)-1H-pyrazol-5-yl)methyl acetate. Following Lipinski's Rule of Five, (1-(4-Chlorophenyl)-3-(3-hydroxy-2-quinoxalinyl)-1H-pyrazol-5-yl)methyl acetate 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 (1-(4-Chlorophenyl)-3-(3-hydroxy-2-quinoxalinyl)-1H-pyrazol-5-yl)methyl acetate?
The CAS number of (1-(4-Chlorophenyl)-3-(3-hydroxy-2-quinoxalinyl)-1H-pyrazol-5-yl)methyl acetate is 66940-28-1.
What is the molecular formula of (1-(4-Chlorophenyl)-3-(3-hydroxy-2-quinoxalinyl)-1H-pyrazol-5-yl)methyl acetate?
The molecular formula of (1-(4-Chlorophenyl)-3-(3-hydroxy-2-quinoxalinyl)-1H-pyrazol-5-yl)methyl acetate is C20H15ClN4O3.
What is the molecular weight of (1-(4-Chlorophenyl)-3-(3-hydroxy-2-quinoxalinyl)-1H-pyrazol-5-yl)methyl acetate?
The molecular weight of (1-(4-Chlorophenyl)-3-(3-hydroxy-2-quinoxalinyl)-1H-pyrazol-5-yl)methyl acetate is 394.08 g/mol.
Where can I buy (1-(4-Chlorophenyl)-3-(3-hydroxy-2-quinoxalinyl)-1H-pyrazol-5-yl)methyl acetate?
You can request a quote for (1-(4-Chlorophenyl)-3-(3-hydroxy-2-quinoxalinyl)-1H-pyrazol-5-yl)methyl acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (1-(4-Chlorophenyl)-3-(3-hydroxy-2-quinoxalinyl)-1H-pyrazol-5-yl)methyl acetate?
Yes, KEHONG BIO provides custom synthesis services for (1-(4-Chlorophenyl)-3-(3-hydroxy-2-quinoxalinyl)-1H-pyrazol-5-yl)methyl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.