2-[5-(4-hydroxyphenyl)-3,6-dioxopiperazin-2-yl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid


Chemical Name: 2-[5-(4-hydroxyphenyl)-3,6-dioxopiperazin-2-yl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid
CAS Number: 94659-47-9
Product Number: AG00698P(AGN-PC-07Y4AT)
Synonyms:
MDL No:
Molecular Formula: C16H19N3O5S
Molecular Weight: 365.4042

Identification/Properties


Properties
MP:
>203°C (dec.)
Storage:
-10 ℃;
Form:
Solid
Computed Properties
Molecular Weight:
365.404g/mol
XLogP3:
-1.8
Hydrogen Bond Donor Count:
5
Hydrogen Bond Acceptor Count:
7
Rotatable Bond Count:
3
Exact Mass:
365.105g/mol
Monoisotopic Mass:
365.105g/mol
Topological Polar Surface Area:
153A^2
Heavy Atom Count:
25
Formal Charge:
0
Complexity:
576
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
4
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

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NMR Spectrum


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Chemical Structure



The compound 2-[5-(4-Hydroxyphenyl)-3,6-dioxo-2-piperazinyl]-5,5-dimethyl-4-thiazolidinecarboxylic acid, also known as $name$, is frequently employed in chemical synthesis as a versatile building block. Its unique structure containing piperazine, thiazolidine, and carboxylic acid moieties makes it a valuable reagent in the creation of novel organic compounds.In chemical synthesis, $name$ is utilized as a key intermediate for the preparation of various pharmaceuticals, agrochemicals, and specialty chemicals. Its functional groups can be selectively modified to introduce specific chemical functionalities, enabling the synthesis of diverse molecular structures with desired properties. Moreover, the presence of the piperazine ring in $name$ enables it to act as a potential bioisostere for molecules containing similar pharmacophores, thus making it an important scaffold in drug discovery and development. Its structural complexity and reactivity make it an indispensable component in the toolkit of synthetic chemists seeking to design and access new chemical entities for a range of applications.