4-[5-(4-Methoxy-phenyl)-3-thiophen-2-yl-4,5-dihydro-pyrazol-1-yl]-4-oxo-butyric acid

Base Information

• Chemical Name: 4-[5-(4-Methoxy-phenyl)-3-thiophen-2-yl-4,5-dihydro-pyrazol-1-yl]-4-oxo-butyric acid
• CAS No.: 332390-97-3
• Molecular Formula: C18H18 N2 O4 S
• Molecular Weight: 357.4041
• Hs Code.: 2934999090
• DSSTox Substance ID: DTXSID70387294
• ChEMBL ID: CHEMBL1526329
• Mol file: 332390-97-3.mol

Synonyms:332390-97-3;4-[5-(4-Methoxy-phenyl)-3-thiophen-2-yl-4,5-dihydro-pyrazol-1-yl]-4-oxo-butyric acid;4-(5-(4-Methoxyphenyl)-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-1-yl)-4-oxobutanoic acid;4-[3-(4-methoxyphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-4-oxobutanoic acid;CBMicro_008354;ChemDiv1_004795;CBKinase1_000789;CBKinase1_013189;Oprea1_327629;Oprea1_866676;MLS001210219;CHEMBL1526329;HMS600J21;DTXSID70387294;HMS2825K16;SMSF0014000;AKOS000300949;AKOS021993073;CCG-107382;SMR000516938;BIM-0008636.P001;EU-0072685;SR-01000443460;SR-01000443460-1;BRD-A41382677-001-01-0;4-(5-(4-Methoxyphenyl)-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-1-yl)-4-oxobutanoicacid

Chemical Property of 4-[5-(4-Methoxy-phenyl)-3-thiophen-2-yl-4,5-dihydro-pyrazol-1-yl]-4-oxo-butyric acid

Chemical Property:

• Vapor Pressure: 1.01E-13mmHg at 25°C
• Boiling Point: 567.6°Cat760mmHg
• PKA: 4.84±0.17(Predicted)
• Flash Point: 297.1°C
• PSA: 107.44000
• Density: g/cm³
• LogP: 2.67270
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 6
• Exact Mass: 358.09872823
• Heavy Atom Count: 25
• Complexity: 531

Purity/Quality:

98%min ^*data from raw suppliers

4-[5-(4-Methoxy-phenyl)-3-thiophen-2-yl-4,5-dihydro-pyrazol-1-yl]-4-oxo-butyric acid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC=C(C=C1)C2CC(=NN2C(=O)CCC(=O)O)C3=CC=CS3