4-Fluoro-1-isopropyl-2-methylbenzimidazole-6-boronic Acid Pinacol Ester - CAS 1231930-37-2
Catalog: |
BB005640 |
Product Name: |
4-Fluoro-1-isopropyl-2-methylbenzimidazole-6-boronic Acid Pinacol Ester |
CAS: |
1231930-37-2 |
Synonyms: |
4-fluoro-2-methyl-1-propan-2-yl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzimidazole; 4-fluoro-2-methyl-1-propan-2-yl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzimidazole |
IUPAC Name: | 4-fluoro-2-methyl-1-propan-2-yl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzimidazole |
Description: | 4-Fluoro-1-isopropyl-2-methylbenzimidazole-6-boronic Acid Pinacol Ester (CAS# 1231930-37-2) is a useful research chemical. |
Molecular Weight: | 318.19 |
Molecular Formula: | C17H24FN2O2B |
Canonical SMILES: | B1(OC(C(O1)(C)C)(C)C)C2=CC3=C(C(=C2)F)N=C(N3C(C)C)C |
InChI: | InChI=1S/C17H24BFN2O2/c1-10(2)21-11(3)20-15-13(19)8-12(9-14(15)21)18-22-16(4,5)17(6,7)23-18/h8-10H,1-7H3 |
InChI Key: | HUSPISQCNSLJSR-UHFFFAOYSA-N |
Storage: | Inert atmosphere, 2-8 °C |
LogP: | 3.36390 |
Publication Number | Title | Priority Date |
TW-202000661-A | Cyclin dependent kinase inhibitors | 20180426 |
US-2019330196-A1 | Cyclin dependent kinase inhibitors | 20180426 |
WO-2019207463-A1 | 2-amino-pyridine or 2-amino-pyrimidine derivatives as cyclin dependent kinase inhibitors | 20180426 |
AU-2019259653-A1 | 2-amino-pyridine or 2-amino-pyrimidine derivatives as cyclin dependent kinase inhibitors | 20180426 |
US-10766884-B2 | Cyclin dependent kinase inhibitors | 20180426 |
Complexity: | 444 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 318.1914863 |
Formal Charge: | 0 |
Heavy Atom Count: | 23 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 318.1914863 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 36.3 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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