Hexylhibo

Base Information

• Chemical Name: Hexylhibo
• CAS No.: 334887-43-3
• Molecular Formula: C12H20N2O4
• Molecular Weight: 256.3
• DSSTox Substance ID: DTXSID90398387
• Nikkaji Number: J1.524.063F
• ChEMBL ID: CHEMBL9758
• Mol file: 334887-43-3.mol

Synonyms:HEXYLHIBO;334887-43-3;2-amino-3-(4-hexyl-3-oxo-1,2-oxazol-5-yl)propanoic acid;alpha-amino-4-hexyl-2,3-dihydro-3-oxo-5-isoxazolepropanoic acid;Hexylhomoibotenic acid;CHEMBL9758;SCHEMBL660029;DTXSID90398387;AKOS024456760;AKOS040745206;HY-103559;CS-0028093;SR-01000597494;J-019209;SR-01000597494-1;3-(3-Hydroxy-4-hexylisoxazole-5-yl)-2-aminopropanoic acid;?-Amino-4-hexyl-2,3-dihydro-3-oxo-5-isoxazolepropanoic acid

Chemical Property of Hexylhibo

Chemical Property:

• Melting Point: 207-219 °C (decomp)
• PKA: 2.26±0.10(Predicted)
• PSA: 109.32000
• Density: 1.176 g/cm³
• LogP: 1.74540
• Storage Temp.: Store at RT
• XLogP3: -0.6
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 8
• Exact Mass: 256.14230712
• Heavy Atom Count: 18
• Complexity: 352

Purity/Quality:

99% ^*data from raw suppliers

HexylHIBO ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCC1=C(ONC1=O)CC(C(=O)O)N
• Uses: HexylHIBO is a group I mGluR antagonist.