N-((3S)-2,3-Dihydro-6-(phenylmethoxy)-3-benzofuranyl)-N-hydroxyurea

Base Information

• Chemical Name: N-((3S)-2,3-Dihydro-6-(phenylmethoxy)-3-benzofuranyl)-N-hydroxyurea
• CAS No.: 139149-55-6
• Molecular Formula: C16H16 N2 O4
• Molecular Weight: 300.34
• UNII: 1YB92DNI69
• DSSTox Substance ID: DTXSID1047318
• Nikkaji Number: J751.783A
• Wikidata: Q81976418
• ChEMBL ID: CHEMBL3185249
• Mol file: 139149-55-6.mol

Synonyms:N-hydroxy-N-(2,3-dihydro-6-phenylmethoxy-3-benzofuranyl)urea;SB 202235;SB-202235

Chemical Property of N-((3S)-2,3-Dihydro-6-(phenylmethoxy)-3-benzofuranyl)-N-hydroxyurea

Chemical Property:

• Vapor Pressure: 3.35E-11mmHg at 25°C
• Boiling Point: 509.4°C at 760 mmHg
• Flash Point: 261.9°C
• PSA: 85.02000
• Density: 1.4g/cm³
• LogP: 3.16930
• XLogP3: 1.4
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 300.11100700
• Heavy Atom Count: 22
• Complexity: 386

Purity/Quality:

99% ^*data from raw suppliers

SB-202235 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1C(C2=C(O1)C=C(C=C2)OCC3=CC=CC=C3)N(C(=O)N)O
• Isomeric SMILES: C1[C@H](C2=C(O1)C=C(C=C2)OCC3=CC=CC=C3)N(C(=O)N)O