Calcium-Sensing Receptor Antagonists I

Base Information

• Chemical Name: Calcium-Sensing Receptor Antagonists I
• CAS No.: 478963-79-0
• Molecular Formula: C23H24N2O2
• Molecular Weight: 360.45
• DSSTox Substance ID: DTXSID20435799
• Nikkaji Number: J3.423.766B
• Wikidata: Q72490645
• Pharos Ligand ID: 97AYHDRDAMKA
• ChEMBL ID: CHEMBL592176
• Mol file: 478963-79-0.mol

Synonyms:Calcium-Sensing Receptor Antagonists I;478963-79-0;1-propan-2-yl-4-(4-propan-2-ylphenyl)-6-prop-2-ynoxyquinazolin-2-one;1-(1-METHYLETHYL)-4-[4-(1-METHYLETHYL)PHENYL]-6-(2-PROPYN-1-YLOXY)-2(1H)-QUINAZOLINONE;CHEMBL592176;CS-0307;2(1H)-Quinazolinone, 1-(1-methylethyl)-4-[4-(1-methylethyl)phenyl]-6-(2-propyn-1-yloxy)-;SCHEMBL3188833;DTXSID20435799;HMS3741E07;BDBM50308078;NCGC00378787-01;HY-50713;MS-25706;FT-0761369;F83592;A923672;1-isopropyl-4-(4-isopropyl-phenyl)-6-prop-2-ynyloxy-1H-quinazoline-2-one;1-Isopropyl-4-(4-isopropyl-phenyl)-6-propargyloxy-1H-quinazolin-2-one;1-Isopropyl-4-(4-isopropylphenyl)-6-(2-propynyloxy)quinazoline-2(1H)-one;1-(Propan-2-yl)-4-[4-(propan-2-yl)phenyl]-6-[(prop-2-yn-1-yl)oxy]quinazolin-2(1H)-one

Chemical Property of Calcium-Sensing Receptor Antagonists I

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Refractive Index: 1.572
• Boiling Point: 510.1 °C at 760 mmHg
• PKA: 0.50±0.20(Predicted)
• Flash Point: 262.299 °C
• PSA: 44.12000
• Density: 1.085 g/cm³
• LogP: 4.77980
• XLogP3: 4.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 5
• Exact Mass: 360.183778013
• Heavy Atom Count: 27
• Complexity: 607

Purity/Quality:

98% ^*data from raw suppliers

Calcium-SensingReceptorAntagonistsI >98% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)C1=CC=C(C=C1)C2=NC(=O)N(C3=C2C=C(C=C3)OCC#C)C(C)C