CAS 151409-79-9 | 1H-Indole-3-carboxaldehyde, 1-[(4-methylphenyl)methyl]- | CAS Number 151409-79-9

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151409-79-9 | 1H-Indole-3-carboxaldehyde, 1-[(4-methylphenyl)methyl]-

CAS No: 151409-79-9 Catalog No: AG001NBC MDL No:MFCD02617078

Product Description

Catalog Number:

AG001NBC

Chemical Name:

1H-Indole-3-carboxaldehyde, 1-[(4-methylphenyl)methyl]-

CAS Number:

151409-79-9

Molecular Formula:

C17H15NO

Molecular Weight:

249.3071

MDL Number:

MFCD02617078

IUPAC Name:

1-[(4-methylphenyl)methyl]indole-3-carbaldehyde

InChI:

InChI=1S/C17H15NO/c1-13-6-8-14(9-7-13)10-18-11-15(12-19)16-4-2-3-5-17(16)18/h2-9,11-12H,10H2,1H3

InChI Key:

RDJOPYUWTRUVCS-UHFFFAOYSA-N

SMILES:

O=Cc1cn(c2c1cccc2)Cc1ccc(cc1)C

Properties

Complexity:

308

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

249.115g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

249.313g/mol

Monoisotopic Mass:

249.115g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

22A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

3.4

Literature

Title	Journal
Analogues and derivatives of oncrasin-1, a novel inhibitor of the C-terminal domain of RNA polymerase II and their antitumor activities.	Journal of medicinal chemistry 20110428
Microsphere-based protease assays and screening application for lethal factor and factor Xa.	Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501