1(2H)-Pyrimidineacetamide,N-[(1S,3S,4S)-4-[[(2,6-dimethylphenoxy)acetyl]amino]-3-hydroxy-5-phenyl-1-(phenylmethyl)pentyl]tetrahydro-a-(1-methylethyl)-2-oxo-, (aS)-


Chemical Name: 1(2H)-Pyrimidineacetamide,N-[(1S,3S,4S)-4-[[(2,6-dimethylphenoxy)acetyl]amino]-3-hydroxy-5-phenyl-1-(phenylmethyl)pentyl]tetrahydro-a-(1-methylethyl)-2-oxo-, (aS)-
CAS Number: 192725-17-0
Product Number: AG003RD4(AGN-PC-0QLHWZ)
Synonyms:
MDL No: MFCD22373646
Molecular Formula: C37H48N4O5
Molecular Weight: 628.8008

Identification/Properties


Properties
MP:
124-127 °C
BP:
924.1°C at 760 mmHg
Storage:
Keep in dry area;2-8℃;
Form:
Solid
Solubility:
DMSO: soluble20mg/mL, clear
Computed Properties
Molecular Weight:
628.814g/mol
XLogP3:
5.9
Hydrogen Bond Donor Count:
4
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
15
Exact Mass:
628.362g/mol
Monoisotopic Mass:
628.362g/mol
Topological Polar Surface Area:
120A^2
Heavy Atom Count:
46
Formal Charge:
0
Complexity:
940
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
4
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



The compound ($name$) plays a crucial role in chemical synthesis as a versatile building block. Its unique structure, (αS)-N-[(1S,3S,4S)-4-[[2-(2,6-Dimethylphenoxy)acetyl]amino]-3-hydroxy-5-phenyl-1-(phenylmethyl)pentyl]tetrahydro-α-(1-methylethyl)-2-oxo-1(2H)-pyrimidineacetamide, lends itself to diverse synthetic pathways and allows for the creation of complex organic molecules. This compound serves as a key intermediate in the synthesis of various pharmaceuticals, agrochemicals, and other specialty chemicals. Its strategic placement within chemical reactions enables the formation of structurally intricate compounds, making it an indispensable tool for organic chemists seeking to develop novel molecules with tailored properties.