4-[(1,1-Dioxidothiomorpholino)methyl]phenylboronic Acid Pinacol Ester - CAS 1092563-25-1

Name: 4-[(1,1-Dioxidothiomorpholino)methyl]phenylboronic Acid Pinacol Ester
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB002420
Product Name:	4-[(1,1-Dioxidothiomorpholino)methyl]phenylboronic Acid Pinacol Ester
CAS:	1092563-25-1
Synonyms:	4-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]-1,4-thiazinane 1,1-dioxide; 4-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]-1,4-thiazinane 1,1-dioxide

Technical Data

IUPAC Name:	4-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]-1,4-thiazinane 1,1-dioxide
Description:	4-[(1,1-Dioxidothiomorpholino)methyl]phenylboronic Acid Pinacol Ester (CAS# 1092563-25-1) is a useful research chemical.
Molecular Weight:	351.27
Molecular Formula:	C17H26NO4SB
Canonical SMILES:	B1(OC(C(O1)(C)C)(C)C)C2=CC=C(C=C2)CN3CCS(=O)(=O)CC3
InChI:	InChI=1S/C17H26BNO4S/c1-16(2)17(3,4)23-18(22-16)15-7-5-14(6-8-15)13-19-9-11-24(20,21)12-10-19/h5-8H,9-13H2,1-4H3
InChI Key:	PZWLWAYUUJLSJL-UHFFFAOYSA-N
LogP:	2.23490

Publication Number	Title	Priority Date
WO-2021074281-A1	Substituted azacyles as trmp8 modulators	20191017
AU-2018318692-A1	Macrocyclic MCL-1 inhibitors and methods of use	20170815
BR-112020003200-A2	macrocyclic mcl-1 inhibitors and methods of use	20170815
CN-111818916-A	Macrocyclic MCL-1 inhibitors and methods of use	20170815
US-2020239494-A1	Macrocyclic mcl-1 inhibitors and methods of use	20170815

Complexity:	519
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	351.1675597
Formal Charge:	0
Heavy Atom Count:	24
Hydrogen Bond Acceptor Count:	5
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	351.1675597
Rotatable Bond Count:	3
Topological Polar Surface Area:	64.2
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0