4-(4-Acetyl-1-piperazinyl)phenylboronic Acid Pinacol Ester - CAS 1218791-38-8
Catalog: |
BB005285 |
Product Name: |
4-(4-Acetyl-1-piperazinyl)phenylboronic Acid Pinacol Ester |
CAS: |
1218791-38-8 |
Synonyms: |
1-[4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1-piperazinyl]ethanone; 1-[4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]piperazin-1-yl]ethanone |
IUPAC Name: | 1-[4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]piperazin-1-yl]ethanone |
Description: | 4-(4-Acetyl-1-piperazinyl)phenylboronic Acid Pinacol Ester (CAS# 1218791-38-8) is a useful research chemical. |
Molecular Weight: | 330.23 |
Molecular Formula: | C18H27N2O3B |
Canonical SMILES: | B1(OC(C(O1)(C)C)(C)C)C2=CC=C(C=C2)N3CCN(CC3)C(=O)C |
InChI: | InChI=1S/C18H27BN2O3/c1-14(22)20-10-12-21(13-11-20)16-8-6-15(7-9-16)19-23-17(2,3)18(4,5)24-19/h6-9H,10-13H2,1-5H3 |
InChI Key: | VRZVSHHLWMAHAZ-UHFFFAOYSA-N |
Appearance: | Solid |
Storage: | Inert atmosphere, 2-8 ℃ |
LogP: | 1.65720 |
Publication Number | Title | Priority Date |
US-2021106588-A1 | Bicyclic heterocycles as fgfr inhibitors | 20191014 |
WO-2021076602-A1 | Bicyclic heterocycles as fgfr inhibitors | 20191014 |
US-2021094935-A1 | Bicyclic heterocycles as fgfr inhibitors | 20191001 |
WO-2021067374-A1 | Bicyclic heterocycles as fgfr inhibitors | 20191001 |
WO-2020121261-A1 | 3,3-difluoroallylamines or salts thereof and pharmaceutical compositions comprising the same | 20181214 |
Complexity: | 451 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 330.2114729 |
Formal Charge: | 0 |
Heavy Atom Count: | 24 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 330.2114729 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 42 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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