5-(Hydroxymethyl)-2-methylphenylboronic Acid Pinacol Ester - CAS 1400755-04-5
Catalog: |
BB009028 |
Product Name: |
5-(Hydroxymethyl)-2-methylphenylboronic Acid Pinacol Ester |
CAS: |
1400755-04-5 |
Synonyms: |
[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methanol; [4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methanol |
IUPAC Name: | [4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methanol |
Description: | 5-(Hydroxymethyl)-2-methylphenylboronic Acid Pinacol Ester (CAS# 1400755-04-5 ) is a useful research chemical. |
Molecular Weight: | 248.13 |
Molecular Formula: | C14H21O3B |
Canonical SMILES: | B1(OC(C(O1)(C)C)(C)C)C2=C(C=CC(=C2)CO)C |
InChI: | InChI=1S/C14H21BO3/c1-10-6-7-11(9-16)8-12(10)15-17-13(2,3)14(4,5)18-15/h6-8,16H,9H2,1-5H3 |
InChI Key: | VJQANZAODCQHCN-UHFFFAOYSA-N |
Appearance: | Solid |
Storage: | Inert atmosphere, Room Temperature |
LogP: | 1.78650 |
Publication Number | Title | Priority Date |
CN-110678466-A | Naphthyridines as HPK1 inhibitors | 20170330 |
JP-2020512974-A | Naphthyridine as an inhibitor of HPK1 | 20170330 |
KR-20190136028-A | Naphthyridine as an HPK1 Inhibitor | 20170330 |
TW-201904964-A | Acridine as an inhibitor of HPK1 | 20170330 |
US-10407424-B2 | Naphthyridines as inhibitors of HPK1 | 20170330 |
Complexity: | 287 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 248.1583747 |
Formal Charge: | 0 |
Heavy Atom Count: | 18 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 248.1583747 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 38.7 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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