Butyrolactone 3

Base Information

• Chemical Name: Butyrolactone 3
• CAS No.: 778649-18-6
• Molecular Formula: C9H12 O4
• Molecular Weight: 184.19
• European Community (EC) Number: 663-946-9
• DSSTox Substance ID: DTXSID60435253
• Nikkaji Number: J910.472K
• Wikidata: Q27216229
• ChEMBL ID: CHEMBL3347571
• Mol file: 778649-18-6.mol

Synonyms:Butyrolactone 3;778649-18-6;(2S,3R)-4-methylidene-5-oxo-2-propyloxolane-3-carboxylic acid;CHEMBL3347571;SCHEMBL23682959;DTXSID60435253;CHEBI:125615;BDBM50371233;AKOS006290263;(2S,3R)-4-Methylidene-5-oxo-2-propyloxolane-3-;BRD-K68584490-001-01-2;Q27216229;(2S,3R)-4-methylene-5-oxo-2-propyl-3-oxolanecarboxylic acid;2beta-Propyl-4-methylene-5-oxotetrahydrofuran-3alpha-carboxylic acid

Chemical Property of Butyrolactone 3

Chemical Property:

• PSA: 63.60000
• LogP: 0.96890
• Storage Temp.: -20°C
• Solubility.: ≤14mg/ml in ethanol;14mg/ml in DMSO;13mg/ml in dimethyl formamide
• XLogP3: 1.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 184.07355886
• Heavy Atom Count: 13
• Complexity: 256

Purity/Quality:

98%,99%, ^*data from raw suppliers

Butyrolactone 3 ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCC1C(C(=C)C(=O)O1)C(=O)O
• Isomeric SMILES: CCC[C@H]1[C@@H](C(=C)C(=O)O1)C(=O)O
• Uses: Butyrolactone 3 is a selective inhibitor of histone acetyltransferase Gcn5 with affinity for the enzyme comparable to its natural substrate. Butyrolactone 3 is very useful tool in understanding and further studying the histone code.