(E)-N-(3-(3-(4-Fluorophenoxy)phenyl)-1-(R,S)-methylprop-2-enyl)-N-hydroxyurea

Base Information

• Chemical Name: (E)-N-(3-(3-(4-Fluorophenoxy)phenyl)-1-(R,S)-methylprop-2-enyl)-N-hydroxyurea
• CAS No.: 134470-38-5
• Molecular Formula: C17H17 F N2 O3
• Molecular Weight: 316.33
• Nikkaji Number: J541.782A
• Wikidata: Q27145207
• Pharos Ligand ID: YDPPAGUR23SX
• ChEMBL ID: CHEMBL86676
• Mol file: 134470-38-5.mol

Synonyms:BW B70C;BW-B70C;N-(3-(3-(4-fluorophenoxy)phenyl)-1-methylprop-2-enyl)-N-hydroxyurea

Chemical Property of (E)-N-(3-(3-(4-Fluorophenoxy)phenyl)-1-(R,S)-methylprop-2-enyl)-N-hydroxyurea

Chemical Property:

• Vapor Pressure: 8.96E-11mmHg at 25°C
• Boiling Point: 498.9°C at 760 mmHg
• Flash Point: 255.5°C
• PSA: 75.79000
• Density: 1.295g/cm³
• LogP: 4.48990
• Storage Temp.: 2-8°C
• Solubility.: DMSO: 22 mg/mL, soluble
• XLogP3: 2.8
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 316.12232057
• Heavy Atom Count: 23
• Complexity: 411

Purity/Quality:

98%Min ^*data from raw suppliers

BW-B 70C ^*data from reagent suppliers

Safty Information:

• Safety Statements: 24/25

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CC(C=CC1=CC(=CC=C1)OC2=CC=C(C=C2)F)N(C(=O)N)O
• Isomeric SMILES: CC(/C=C/C1=CC(=CC=C1)OC2=CC=C(C=C2)F)N(C(=O)N)O
• Uses: BW B70C is a 5-LO (5-lipoxygenase) inhibitor.