Butanoic acid, 4-methyl-2-oxo-2H-1-benzopyran-7-yl ester


Chemical Name: Butanoic acid, 4-methyl-2-oxo-2H-1-benzopyran-7-yl ester
CAS Number: 17695-46-4
Product Number: AG00250F(AGN-PC-0JLWNZ)
Synonyms:
MDL No:
Molecular Formula: C14H14O4
Molecular Weight: 246.2586

Identification/Properties


Computed Properties
Molecular Weight:
246.262g/mol
XLogP3:
2.8
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
4
Exact Mass:
246.089g/mol
Monoisotopic Mass:
246.089g/mol
Topological Polar Surface Area:
52.6A^2
Heavy Atom Count:
18
Formal Charge:
0
Complexity:
372
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
Signal Word:
Warning
UN#:
-
Hazard Statements:
H302-H315-H319-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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Chemical Structure



4-Methylumbelliferyl butyrate, also known as 4-MUB, is a valuable compound used in chemical synthesis, particularly in enzymatic assays and substrate specificity studies. This substrate is commonly employed to assess the activity of lipases, esterases, and related enzymes due to its rapid turnover and fluorescence detection capabilities.When utilized in chemical synthesis, 4-Methylumbelliferyl butyrate serves as a fluorogenic substrate that undergoes enzymatic hydrolysis to release the fluorescent product 4-methylumbelliferone (4-MU). This process allows for the real-time monitoring and quantification of enzyme activity, making it a powerful tool in biochemical research and drug discovery efforts.Moreover, the versatility of 4-MUB extends beyond enzyme assays, as it can also be utilized in the development of novel bioconjugates, prodrugs, and fluorescent probes. Its straightforward synthesis and reliable performance make 4-Methylumbelliferyl butyrate a valuable component in the chemical synthesis toolkit, enabling researchers to explore a wide range of applications in biology, medicine, and beyond.