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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)-

2H-Pyrazolo[3,4-f][1,4]oxazepin-8(5H)-one,2-(2-chlorophenyl)-3-(4-chlorophenyl)-7-(2,2-difluoropropyl)-6,7-dihydro-

Clc1ccc(cc1)c1c2OCCN(C(=O)c2nn1c1ccccc1Cl)CC(F)(F)C Request for Quotation
Chemical Name: 2H-Pyrazolo[3,4-f][1,4]oxazepin-8(5H)-one,2-(2-chlorophenyl)-3-(4-chlorophenyl)-7-(2,2-difluoropropyl)-6,7-dihydro-
CAS Number: 851728-60-4
Product Number: AG00G507(AGN-PC-0UYFKR)
Synonyms:
MDL No:
Molecular Formula: C21H17Cl2F2N3O2
Molecular Weight: 452.2814

Identification/Properties

Computed Properties
Molecular Weight:
452.283g/mol
XLogP3:
5.4
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
4
Exact Mass:
451.067g/mol
Monoisotopic Mass:
451.067g/mol
Topological Polar Surface Area:
47.4A^2
Heavy Atom Count:
30
Formal Charge:
0
Complexity:
621
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


2-(2-Chlorophenyl)-3-(4-chlorophenyl)-7-(2,2-difluoropropyl)-6,7-dihydro-2H-pyrazolo[3,4-f][1,4]oxazepin-8(5H)-one, known for its intricate molecular structure, plays a crucial role in chemical synthesis processes. This compound serves as a versatile building block in the creation of novel drug molecules and organic compounds. Its unique combination of chlorophenyl, difluoropropyl, and pyrazole-oxazepin rings imparts specific reactivity and stereochemistry in various synthetic pathways, allowing for the formation of diverse chemical structures. In the realm of medicinal chemistry, this compound can be used to synthesize potential pharmaceutical agents with tailored properties for specific biological targets. Its presence in a synthesis pathway can influence the pharmacokinetic profiles and overall efficacy of the resulting compounds. Additionally, the intricate structure of 2-(2-Chlorophenyl)-3-(4-chlorophenyl)-7-(2,2-difluoropropyl)-6,7-dihydro-2H-pyrazolo[3,4-f][1,4]oxazepin-8(5H)-one enables its utilization in the construction of complex molecules with defined stereochemistry, making it a valuable tool in the hands of synthetic chemists.