Name: Name:4H-1-Benzopyran-3-carbonitrile, 2,7,8-triaMino-4-(3-broMo-4,5-diMethoxyphenyl)-
Brand: Angene
SKU: AG00E6RF
Rating: 90 (10 reviews)

4H-1-Benzopyran-3-carbonitrile, 2,7,8-triaMino-4-(3-broMo-4,5-diMethoxyphenyl)-

CAS No.:

475576-83-1

Catalog Number:

AG00E6RF

Molecular Formula:

Molecular Weight:

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Product Description

Catalog Number:

AG00E6RF

Chemical Name:

4H-1-Benzopyran-3-carbonitrile, 2,7,8-triaMino-4-(3-broMo-4,5-diMethoxyphenyl)-

CAS Number:

475576-83-1

MDL Number:

MFCD24038951

IUPAC Name:

2,7,8-triamino-4-(3-bromo-4,5-dimethoxyphenyl)-4H-chromene-3-carbonitrile

InChI:

InChI=1S/C18H17BrN4O3/c1-24-13-6-8(5-11(19)17(13)25-2)14-9-3-4-12(21)15(22)16(9)26-18(23)10(14)7-20/h3-6,14H,21-23H2,1-2H3

InChI Key:

JXONINOYTKKXQQ-UHFFFAOYSA-N

Properties

Complexity:

607

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

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Defined Bond Stereocenter Count:

Exact Mass:

416.048g/mol

Formal Charge:

Heavy Atom Count:

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Molecular Weight:

417.263g/mol

Monoisotopic Mass:

416.048g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

130A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.6

Literature

Title	Journal
Discovery of 4-aryl-4H-chromenes as a new series of apoptosis inducers using a cell- and caspase-based high-throughput screening assay. 3. Structure-activity relationships of fused rings at the 7,8-positions.	Journal of medicinal chemistry 20070614