4-[(1-Imidazolyl)methyl]phenylboronic Acid Pinacol Ester - CAS 1351478-35-7
Catalog: |
BB008085 |
Product Name: |
4-[(1-Imidazolyl)methyl]phenylboronic Acid Pinacol Ester |
CAS: |
1351478-35-7 |
Synonyms: |
1-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]imidazole; 1-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]imidazole |
IUPAC Name: | 1-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]imidazole |
Description: | 4-[(1-Imidazolyl)methyl]phenylboronic Acid Pinacol Ester (CAS# 1351478-35-7) is a useful research chemical. |
Molecular Weight: | 284.16 |
Molecular Formula: | C16H21N2O2B |
Canonical SMILES: | B1(OC(C(O1)(C)C)(C)C)C2=CC=C(C=C2)CN3C=CN=C3 |
InChI: | InChI=1S/C16H21BN2O2/c1-15(2)16(3,4)21-17(20-15)14-7-5-13(6-8-14)11-19-10-9-18-12-19/h5-10,12H,11H2,1-4H3 |
InChI Key: | GVBBYQGYCDPTQO-UHFFFAOYSA-N |
Storage: | Inert atmosphere, 2-8 °C |
MDL: | MFCD18735902 |
LogP: | 2.23060 |
Publication Number | Title | Priority Date |
AU-2015271837-A1 | Tank-binding kinase inhibitor compounds | 20140603 |
AU-2015271837-B2 | Tank-binding kinase inhibitor compounds | 20140603 |
AU-2018208766-A1 | Tank-binding kinase inhibitor compounds | 20140603 |
EA-031757-B1 | TANK-BINDING KINAZ INHIBITING COMPOUNDS | 20140603 |
EP-3152210-A1 | Tank-binding kinase inhibitor compounds | 20140603 |
Complexity: | 351 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 284.1696081 |
Formal Charge: | 0 |
Heavy Atom Count: | 21 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 284.1696081 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 36.3 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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