(4Z)-7-[(1S,2S,5R)-5-[([1,1'-biphenyl]-4-yl)methoxy]-2-(morpholin-4-yl)-3-oxocyclopentyl]hept-4-enoic acid

Base Information

• Chemical Name: (4Z)-7-[(1S,2S,5R)-5-[([1,1'-biphenyl]-4-yl)methoxy]-2-(morpholin-4-yl)-3-oxocyclopentyl]hept-4-enoic acid
• CAS No.: 81443-73-4
• Molecular Formula: C29H35NO5
• Molecular Weight: 477.592
• UNII: 9NEV21ZEL6
• DSSTox Substance ID: DTXSID701109678
• Nikkaji Number: J365.552K
• Wikidata: Q27162503
• Mol file: 81443-73-4.mol

Synonyms:7-(5-(((1,1-biphenyl)-4-yl)methoxy)-2-(4-morpholinyl)-3-oxocyclopentyl)-4-heptanoic acid;AH 23848;AH 23848B;AH-23848;AH23848

Chemical Property of (4Z)-7-[(1S,2S,5R)-5-[([1,1'-biphenyl]-4-yl)methoxy]-2-(morpholin-4-yl)-3-oxocyclopentyl]hept-4-enoic acid

Chemical Property:

• Appearance/Colour: off-white solid
• Boiling Point: 657.5 °C at 760 mmHg
• Flash Point: 351.4 °C
• PSA: 76.07000
• Density: 1.21 g/cm³
• LogP: 4.66770
• Storage Temp.: −20°C
• Solubility.: DMSO: 18 mg/mL at ≤60 °C
• XLogP3: 1.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 11
• Exact Mass: 477.25152322
• Heavy Atom Count: 35
• Complexity: 689

Purity/Quality:

99% ^*data from raw suppliers

AH 23848 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1COCCN1C2C(C(CC2=O)OCC3=CC=C(C=C3)C4=CC=CC=C4)CCC=CCCC(=O)O
• Isomeric SMILES: C1COCCN1[C@H]2[C@@H]([C@@H](CC2=O)OCC3=CC=C(C=C3)C4=CC=CC=C4)CC/C=C\CCC(=O)O