4-(3-(6-methyl-2-oxo-4-phenyl-1,2-dihydroquinolin-3-yl)-5-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-1-yl)-4-oxobutanoic acid
TL;DR: 4-(3-(6-methyl-2-oxo-4-phenyl-1,2-dihydroquinolin-3-yl)-5-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-1-yl)-4-oxobutanoic acid (CAS 799799-85-2) is a chemical compound with molecular formula C27H23N3O4S and molecular weight 485.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[5-(6-methyl-2-oxo-4-phenyl-1H-quinolin-3-yl)-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-4-oxobutanoic acid
Also Known As: 4-(3-(6-methyl-2-oxo-4-phenyl-1,2-dihydroquinolin-3-yl)-5-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-1-yl)-4-oxobutanoic acid, 4-[3-(6-Methyl-2-oxo-4-phenyl-1,2-dihydro-quinolin-3-yl)-5-thiophen-2-yl-4,5-dihydro-pyrazol-1-yl]-4-oxo-butyric acid, 4-[(3E)-3-(6-methyl-2-oxidanylidene-4-phenyl-quinolin-3-ylidene)-5-thiophen-2-yl-pyrazolidin-1-yl]-4-oxidanylidene-butanoic acid, 4-[(3E)-3-(6-methyl-2-oxo-4-phenyl-3-quinolinylidene)-5-thiophen-2-yl-1-pyrazolidinyl]-4-oxobutanoic acid, 4-[(3E)-3-(6-methyl-2-oxo-4-phenylquinolin-3-ylidene)-5-thiophen-2-ylpyrazolidin-1-yl]-4-oxobutanoic acid
| Molecular Formula | C27H23N3O4S |
|---|---|
| Molecular Weight | 485.14 g/mol |
| LogP | 5.10752 |
| Topological Polar Surface Area | 102.83 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 485.14093 |
| Heavy Atoms | 35 |
| Complexity | 1506.9736 |
Chemical Identifiers
| CAS Number | 799799-85-2 |
|---|---|
| SMILES | CC1=CC2=C(C=C1)NC(=O)C(=C2C3=CC=CC=C3)C4=NN(C(C4)C5=CC=CS5)C(=O)CCC(=O)O |
Product Overview
4-(3-(6-methyl-2-oxo-4-phenyl-1,2-dihydroquinolin-3-yl)-5-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-1-yl)-4-oxobutanoic acid (CAS 799799-85-2), with molecular formula C27H23N3O4S and molecular weight 485.14 g/mol. IUPAC: 4-[5-(6-methyl-2-oxo-4-phenyl-1H-quinolin-3-yl)-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-4-oxobutanoic acid.
Chemical Property Profile of 4-(3-(6-methyl-2-oxo-4-phenyl-1,2-dihydroquinolin-3-yl)-5-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-1-yl)-4-oxobutanoic acid
Property Insights of 4-(3-(6-methyl-2-oxo-4-phenyl-1,2-dihydroquinolin-3-yl)-5-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-1-yl)-4-oxobutanoic acid
The XLogP value of 5.10752 indicates that 4-(3-(6-methyl-2-oxo-4-phenyl-1,2-dihydroquinolin-3-yl)-5-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-1-yl)-4-oxobutanoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 102.83 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(3-(6-methyl-2-oxo-4-phenyl-1,2-dihydroquinolin-3-yl)-5-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-1-yl)-4-oxobutanoic acid. Following Lipinski's Rule of Five, 4-(3-(6-methyl-2-oxo-4-phenyl-1,2-dihydroquinolin-3-yl)-5-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-1-yl)-4-oxobutanoic acid has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-(3-(6-methyl-2-oxo-4-phenyl-1,2-dihydroquinolin-3-yl)-5-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-1-yl)-4-oxobutanoic acid?
The CAS number of 4-(3-(6-methyl-2-oxo-4-phenyl-1,2-dihydroquinolin-3-yl)-5-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-1-yl)-4-oxobutanoic acid is 799799-85-2.
What is the molecular formula of 4-(3-(6-methyl-2-oxo-4-phenyl-1,2-dihydroquinolin-3-yl)-5-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-1-yl)-4-oxobutanoic acid?
The molecular formula of 4-(3-(6-methyl-2-oxo-4-phenyl-1,2-dihydroquinolin-3-yl)-5-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-1-yl)-4-oxobutanoic acid is C27H23N3O4S.
What is the molecular weight of 4-(3-(6-methyl-2-oxo-4-phenyl-1,2-dihydroquinolin-3-yl)-5-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-1-yl)-4-oxobutanoic acid?
The molecular weight of 4-(3-(6-methyl-2-oxo-4-phenyl-1,2-dihydroquinolin-3-yl)-5-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-1-yl)-4-oxobutanoic acid is 485.14 g/mol.
Where can I buy 4-(3-(6-methyl-2-oxo-4-phenyl-1,2-dihydroquinolin-3-yl)-5-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-1-yl)-4-oxobutanoic acid?
You can request a quote for 4-(3-(6-methyl-2-oxo-4-phenyl-1,2-dihydroquinolin-3-yl)-5-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-1-yl)-4-oxobutanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(3-(6-methyl-2-oxo-4-phenyl-1,2-dihydroquinolin-3-yl)-5-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-1-yl)-4-oxobutanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-(3-(6-methyl-2-oxo-4-phenyl-1,2-dihydroquinolin-3-yl)-5-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-1-yl)-4-oxobutanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.