Benzoic acid, 4-(2-(5,6-dihydro-5,5-dimethyl-8-phenyl-2-naphthalenyl)ethenyl)-, (E)-

Base Information

• Chemical Name: Benzoic acid, 4-(2-(5,6-dihydro-5,5-dimethyl-8-phenyl-2-naphthalenyl)ethenyl)-, (E)-
• CAS No.: 166977-43-1
• Deprecated CAS: 164108-16-1
• Molecular Formula: C27H24O2
• Molecular Weight: 380.47800
• UNII: M531IV9E0V
• Wikidata: Q27283498
• ChEMBL ID: CHEMBL2385268
• Mol file: 166977-43-1.mol

Synonyms:BMS 453;BMS-453;BMS453

Chemical Property of Benzoic acid, 4-(2-(5,6-dihydro-5,5-dimethyl-8-phenyl-2-naphthalenyl)ethenyl)-, (E)-

Chemical Property:

• PSA: 37.30000
• LogP: 6.66820
• Storage Temp.: Store at -20°C
• Solubility.: DMSO: soluble10mg/mL, clear
• XLogP3: 6.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 380.177630004
• Heavy Atom Count: 29
• Complexity: 629

Purity/Quality:

99%+, ^*data from raw suppliers

BMS 453 ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1(CC=C(C2=C1C=CC(=C2)C=CC3=CC=C(C=C3)C(=O)O)C4=CC=CC=C4)C
• Isomeric SMILES: CC1(CC=C(C2=C1C=CC(=C2)/C=C/C3=CC=C(C=C3)C(=O)O)C4=CC=CC=C4)C
• Uses: BMS 453 is a synthetic retinoid and RARβ antagonist which also displays antagonist acitivity in RARα.