4-Oxo-4-(5-phenyl-3-quinoxalin-6-yl-3,4-dihydropyrazol-2-yl)butanoic acid
TL;DR: 4-Oxo-4-(5-phenyl-3-quinoxalin-6-yl-3,4-dihydropyrazol-2-yl)butanoic acid (CAS 442649-90-3) is a chemical compound with molecular formula C21H18N4O3 and molecular weight 374.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-oxo-4-(5-phenyl-3-quinoxalin-6-yl-3,4-dihydropyrazol-2-yl)butanoic acid
Also Known As: BAS 07354278, AB00344148-05, 4-Oxo-4-(3-phenyl-5-quinoxalin-6-yl-4,5-dihydro-pyrazol-1-yl)-butyric acid, 4-oxo-4-(5-phenyl-3-quinoxalin-6-yl-3,4-dihydropyrazol-2-yl)butanoic acid, 4-oxo-4-[3-phenyl-5-(quinoxalin-6-yl)-4,5-dihydro-1H-pyrazol-1-yl]butanoic acid
| Molecular Formula | C21H18N4O3 |
|---|---|
| Molecular Weight | 374.14 g/mol |
| LogP | 3.1723 |
| Topological Polar Surface Area | 95.75 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 374.13788 |
| Heavy Atoms | 28 |
| Complexity | 1065.4485 |
Chemical Identifiers
| CAS Number | 442649-90-3 |
|---|---|
| SMILES | C1C(N(N=C1C2=CC=CC=C2)C(=O)CCC(=O)O)C3=CC4=NC=CN=C4C=C3 |
Product Overview
4-Oxo-4-(5-phenyl-3-quinoxalin-6-yl-3,4-dihydropyrazol-2-yl)butanoic acid (CAS 442649-90-3), with molecular formula C21H18N4O3 and molecular weight 374.14 g/mol. IUPAC: 4-oxo-4-(5-phenyl-3-quinoxalin-6-yl-3,4-dihydropyrazol-2-yl)butanoic acid.
Chemical Property Profile of 4-Oxo-4-(5-phenyl-3-quinoxalin-6-yl-3,4-dihydropyrazol-2-yl)butanoic acid
Property Insights of 4-Oxo-4-(5-phenyl-3-quinoxalin-6-yl-3,4-dihydropyrazol-2-yl)butanoic acid
The XLogP value of 3.1723 indicates that 4-Oxo-4-(5-phenyl-3-quinoxalin-6-yl-3,4-dihydropyrazol-2-yl)butanoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 95.75 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Oxo-4-(5-phenyl-3-quinoxalin-6-yl-3,4-dihydropyrazol-2-yl)butanoic acid. Following Lipinski's Rule of Five, 4-Oxo-4-(5-phenyl-3-quinoxalin-6-yl-3,4-dihydropyrazol-2-yl)butanoic acid 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 4-Oxo-4-(5-phenyl-3-quinoxalin-6-yl-3,4-dihydropyrazol-2-yl)butanoic acid?
The CAS number of 4-Oxo-4-(5-phenyl-3-quinoxalin-6-yl-3,4-dihydropyrazol-2-yl)butanoic acid is 442649-90-3.
What is the molecular formula of 4-Oxo-4-(5-phenyl-3-quinoxalin-6-yl-3,4-dihydropyrazol-2-yl)butanoic acid?
The molecular formula of 4-Oxo-4-(5-phenyl-3-quinoxalin-6-yl-3,4-dihydropyrazol-2-yl)butanoic acid is C21H18N4O3.
What is the molecular weight of 4-Oxo-4-(5-phenyl-3-quinoxalin-6-yl-3,4-dihydropyrazol-2-yl)butanoic acid?
The molecular weight of 4-Oxo-4-(5-phenyl-3-quinoxalin-6-yl-3,4-dihydropyrazol-2-yl)butanoic acid is 374.14 g/mol.
Where can I buy 4-Oxo-4-(5-phenyl-3-quinoxalin-6-yl-3,4-dihydropyrazol-2-yl)butanoic acid?
You can request a quote for 4-Oxo-4-(5-phenyl-3-quinoxalin-6-yl-3,4-dihydropyrazol-2-yl)butanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Oxo-4-(5-phenyl-3-quinoxalin-6-yl-3,4-dihydropyrazol-2-yl)butanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-Oxo-4-(5-phenyl-3-quinoxalin-6-yl-3,4-dihydropyrazol-2-yl)butanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.