4-(3,3-Dimethylureido)phenylboronic Acid Pinacol Ester - CAS 874290-93-4

Name: 4-(3,3-Dimethylureido)phenylboronic Acid Pinacol Ester
Brand: BOC Sciences
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Catalog:	BB038451
Product Name:	4-(3,3-Dimethylureido)phenylboronic Acid Pinacol Ester
CAS:	874290-93-4
Synonyms:	1,1-dimethyl-3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]urea; 1,1-dimethyl-3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]urea

Technical Data

IUPAC Name:	1,1-dimethyl-3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]urea
Description:	4-(3,3-Dimethylureido)phenylboronic Acid Pinacol Ester (CAS# 874290-93-4) is a useful research chemical.
Molecular Weight:	290.17
Molecular Formula:	C15H23N2O3B
Canonical SMILES:	B1(OC(C(O1)(C)C)(C)C)C2=CC=C(C=C2)NC(=O)N(C)C
InChI:	InChI=1S/C15H23BN2O3/c1-14(2)15(3,4)21-16(20-14)11-7-9-12(10-8-11)17-13(19)18(5)6/h7-10H,1-6H3,(H,17,19)
InChI Key:	WFCXDAQSTGDHCJ-UHFFFAOYSA-N
Boiling Point:	448.2 °C at 760 mmHg
Density:	1.09 g/cm³
MDL:	MFCD08689520
LogP:	2.15230

Publication Number	Title	Priority Date
WO-2019238067-A1	Pyrrolo [2, 3-b] pyridines or pyrrolo [2, 3-b] pyrazines as hpk1 inhibitor and the use thereof	20180613
TW-202016109-A	Pyrrolo[2,3-B]pyridine or pyrrolo[2,3-B]pyrazine as an HPK1 inhibitor and uses thereof	20180613
CN-112243439-A	Pyrrolo [2,3-B ] pyridines or pyrrolo [2,3-B ] pyrazines as HPK1 inhibitors and uses thereof	20180613
AU-2017294983-A1	Inhibitors of tryptophan 2,3-dioxygenase	20160713
EP-3269714-A1	Inhibitors of tryptophan 2,3-dioxygenase	20160713

Complexity:	374
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	290.1801728
Formal Charge:	0
Heavy Atom Count:	21
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	290.1801728
Rotatable Bond Count:	2
Topological Polar Surface Area:	50.8
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0