(S)-HexylHIBO

Base Information

• Chemical Name: (S)-HexylHIBO
• CAS No.: 334887-48-8
• Molecular Formula: C12H20 N2 O4
• Molecular Weight: 256.3
• DSSTox Substance ID: DTXSID00424989
• Nikkaji Number: J1.524.061J
• Wikidata: Q27088797
• ChEMBL ID: CHEMBL273291
• Mol file: 334887-48-8.mol

Synonyms:(S)-HexylHIBO;334887-48-8;(S)-hexylhomoibotenic acid;(2S)-2-amino-3-(4-hexyl-3-oxo-1,2-oxazol-5-yl)propanoic acid;(2S)-2-amino-3-(4-hexyl-3-oxo-2,3-dihydro-1,2-oxazol-5-yl)propanoic acid;Tocris-1750;NCGC00025276-01;Tocris-1749;D0O0XX;SCHEMBL660028;CHEMBL273291;GTPL5448;DTXSID00424989;AKOS024456761;NCGC00025277-01;SR-01000597495;J-019210;SR-01000597495-3;Q27088797;(?S)-?-Amino-4-hexyl-2,3-dihydro-3-oxo-5-isoxazolepropanoic acid;(S)-3-(3-Hydroxy-4-hexylisoxazole-5-yl)-2-aminopropanoic acid;(alphaS)-alpha-Amino-4-hexyl-2,3-dihydro-3-oxo-5-isoxazolepropanoic acid;(S)-2-Amino-3-(4-hexyl-3-oxo-2,3-dihydroisoxazol-5-yl)propanoic acid

Chemical Property of (S)-HexylHIBO

Chemical Property:

• PSA: 109.32000
• 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%min ^*data from raw suppliers

(S)-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
• Isomeric SMILES: CCCCCCC1=C(ONC1=O)C[C@@H](C(=O)O)N
• Uses: (S)-HexylHIBO is a group I mGluR antagonist.