Indole-4-boronic Acid Pinacol Ester - CAS 388116-27-6
Catalog: |
BB023766 |
Product Name: |
Indole-4-boronic Acid Pinacol Ester |
CAS: |
388116-27-6 |
Synonyms: |
4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole; 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole |
IUPAC Name: | 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole |
Description: | Indole-4-boronic Acid Pinacol Ester (CAS# 388116-27-6) is a useful research chemical. |
Molecular Weight: | 243.11 |
Molecular Formula: | C14H18NO2B |
Canonical SMILES: | B1(OC(C(O1)(C)C)(C)C)C2=C3C=CNC3=CC=C2 |
InChI: | InChI=1S/C14H18BNO2/c1-13(2)14(3,4)18-15(17-13)11-6-5-7-12-10(11)8-9-16-12/h5-9,16H,1-4H3 |
InChI Key: | QDCIXBBEUHMLDN-UHFFFAOYSA-N |
Boiling Point: | 396 °C at 760 mmHg |
Melting Point: | 168-173 °C |
Purity: | 95 % |
Density: | 1.11 g/cm3 |
MDL: | MFCD08689896 |
LogP: | 2.46710 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2021083060-A1 | Five-membered heterocyclic oxocarboxylic acid compound and medical use thereof | 20191028 |
WO-2021064186-A1 | Novel pyridin-2(1h)one derivatives, their preparation and their use for the treatment of pain | 20191004 |
US-2021078996-A1 | Hpk1 antagonists and uses thereof | 20190913 |
US-2021078997-A1 | SUBSTITUTED ISOINDOLIN-1-ONES AND 2,3-DIHYDRO-1H-PYRROL[3,4-c]PYRIDIN-1-ONES AS HPK1 ANTAGONISTS | 20190913 |
US-2021078998-A1 | SUBSTITUTED ISOINDOLIN-1-ONES AND 2,3-DIHYDRO-1H-PYRROLO[3,4-c]PYRIDIN-1-ONES AS HPK1 ANTAGONISTS | 20190913 |
Complexity: | 316 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 243.1430590 |
Formal Charge: | 0 |
Heavy Atom Count: | 18 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 243.1430590 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 34.2 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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