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