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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)-

1H-1,4-Diazepine, 1-[(1-chloro-5-isoquinolinyl)sulfonyl]hexahydro-

Clc1nccc2c1cccc2S(=O)(=O)N1CCNCCC1 Request for Quotation
Chemical Name: 1H-1,4-Diazepine, 1-[(1-chloro-5-isoquinolinyl)sulfonyl]hexahydro-
CAS Number: 105628-70-4
Product Number: AG0084FM(AGN-PC-03ONNP)
Synonyms:
MDL No:
Molecular Formula: C14H16ClN3O2S
Molecular Weight: 325.8137

Identification/Properties

Computed Properties
Molecular Weight:
325.811g/mol
XLogP3:
1.9
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
2
Exact Mass:
325.065g/mol
Monoisotopic Mass:
325.065g/mol
Topological Polar Surface Area:
70.7A^2
Heavy Atom Count:
21
Formal Charge:
0
Complexity:
454
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 Isoquinoline, 1-chloro-5-[(hexahydro-1H-1,4-diazepin-1-yl)sulfonyl]- is a versatile reagent commonly used in chemical synthesis processes. This compound serves as a valuable intermediate in the creation of various pharmaceuticals, agrochemicals, and fine chemicals. Its unique chemical structure allows for selective functionalization, enabling the synthesis of complex molecules with specific properties and functionalities. Applications of this compound in chemical synthesis include the formation of heterocyclic compounds, building blocks for drug discovery, and the modification of organic molecules to enhance their bioactivity and stability. Additionally, the presence of the sulfonyl group in the structure offers opportunities for further derivatization, making Isoquinoline, 1-chloro-5-[(hexahydro-1H-1,4-diazepin-1-yl)sulfonyl]- a valuable tool in the hands of synthetic chemists.