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Brc1cnc(nc1)C
Pyrimidine, 5-bromo-2-methyl-
CCCP1(=O)OP(=O)(CCC)OP(=O)(O1)CCC
1,3,5,2,4,6-Trioxatriphosphorinane, 2,4,6-tripropyl-, 2,4,6-trioxide
CC1(C)OB(OC1(C)C)B1OC(C(O1)(C)C)(C)C
2,2'-Bi-1,3,2-dioxaborolane, 4,4,4',4',5,5,5',5'-octamethyl-
O=C(C=Cc1ccccc1)C=Cc1ccccc1.O=C(C=Cc1ccccc1)C=Cc1ccccc1.O=C(C=Cc1ccccc1)C=Cc1ccccc1.[Pd].[Pd]
Tris(dibenzylideneacetone)dipalladium
C1CCC(CC1)P(C1CCCCC1)C1CCCCC1.Cc1cc(C)c(c(c1)C)N1CCN(C1=[Ru](=Cc1ccccc1)(Cl)Cl)c1c(C)cc(cc1C)C
Ruthenium,[1,3-bis(2,4,6-trimethylphenyl)-2-imidazolidinylidene]dichloro(phenylmethylene)(tricyclohexylphosphine)-, (SP-5-41)-

[7-(6-aminopyridin-3-yl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-(3-fluoro-2-methyl-4-methylsulfonylphenyl)methanone

O=C(c1ccc(c(c1C)F)S(=O)(=O)C)N1CCOc2c(C1)cc(cc2)c1ccc(=N)[nH]c1 Request for Quotation
Chemical Name: [7-(6-aminopyridin-3-yl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-(3-fluoro-2-methyl-4-methylsulfonylphenyl)methanone
CAS Number: 1251156-08-7
Product Number: AG009CFQ(AGN-PC-0D0PEY)
Synonyms:
MDL No:
Molecular Formula: C23H22FN3O4S
Molecular Weight: 455.5019

Identification/Properties

Computed Properties
Molecular Weight:
455.504g/mol
XLogP3:
2.5
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
7
Rotatable Bond Count:
3
Exact Mass:
455.132g/mol
Monoisotopic Mass:
455.132g/mol
Topological Polar Surface Area:
111A^2
Heavy Atom Count:
32
Formal Charge:
0
Complexity:
776
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

NMR Spectrum

Other Analytical Data

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Chemical Structure


The compound [7-(6-aminopyridin-3-yl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-(3-fluoro-2-methyl-4-methylsulfonylphenyl)methanone serves as a valuable building block in chemical synthesis due to its versatile reactivity and unique structural features. In organic synthesis, this compound exhibits a wide range of applications, particularly in the development of novel pharmaceuticals and agrochemicals. Its diverse functionality allows for selective modification through various chemical reactions, making it a valuable tool for designing and preparing complex molecules with specific biological activities. The presence of the aminopyridine moiety and the benzoxazepin ring in the structure offers opportunities for forming key interactions in target-binding sites, enhancing the potential for drug discovery efforts. Furthermore, the fluoro and methylsulfonyl substituents contribute to the compound's stability and pharmacokinetic properties, making it a promising candidate for further exploration in medicinal chemistry research. By incorporating this compound into synthetic pathways, chemists can access a wide array of structurally intricate compounds, enabling the advancement of drug discovery and material science endeavors.