1-Boc-4-bromo-1H-indol-5-amine - CAS 1448607-76-8

Name: 1-Boc-4-bromo-1H-indol-5-amine
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB009844
Product Name:	1-Boc-4-bromo-1H-indol-5-amine
CAS:	1448607-76-8
Synonyms:	5-amino-4-bromo-1-indolecarboxylic acid tert-butyl ester; tert-butyl 5-amino-4-bromoindole-1-carboxylate

Technical Data

Patents

Computed Properties

IUPAC Name:	tert-butyl 5-amino-4-bromoindole-1-carboxylate
Description:	1-Boc-4-bromo-1H-indol-5-amine (CAS# 1448607-76-8 ) is a useful research chemical.
Molecular Weight:	311.17
Molecular Formula:	C13H15BrN2O2
Canonical SMILES:	CC(C)(C)OC(=O)N1C=CC2=C1C=CC(=C2Br)N
InChI:	InChI=1S/C13H15BrN2O2/c1-13(2,3)18-12(17)16-7-6-8-10(16)5-4-9(15)11(8)14/h4-7H,15H2,1-3H3
InChI Key:	SAHIMHVDJVMFOU-UHFFFAOYSA-N
LogP:	4.35040

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Related Functional Groups

Indoles

[116952-58-0]C14H18N2O3
2-Ethoxycarbonyl-5-methoxytryptamine
[2642-37-7]C8H6KNO4S
Indoxyl sulfate potassium salt
[171780-79-3]C9H10N2O
5-Methoxy-7-methyl-4-azaindole
[1375064-65-5]C11H9BrClNO2
Ethyl 3-Bromo-5-chloroindole-1-carboxylate
[1375064-48-4]C11H9BrFNO2
Ethyl 3-Bromo-5-fluoroindole-1-carboxylate
[1375064-59-7]C11H10BrNO2
Ethyl 3-Bromoindole-1-carboxylate

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Publication Number	Title	Priority Date
AU-2018352695-A1	Benzimidazole-indole inhibitors of Mnk1 and Mnk2	20171019
CA-3079607-A1	Benzimidazole-indole inhibitors of mnk1 and mnk2	20171019
US-2019119256-A1	Benzimidazole-indole inhibitors of mnk1 and mnk2	20171019
WO-2019079369-A1	BENZIMIDAZOLE INDOLE INHIBITORS OF MNK1 AND MNK2	20171019
EP-3697777-A1	Benzimidazole-indole inhibitors of mnk1 and mnk2	20171019

Complexity:	329
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	310.03169
Formal Charge:	0
Heavy Atom Count:	18
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	310.03169
Rotatable Bond Count:	2
Topological Polar Surface Area:	57.2
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.3