4-(1-Ethoxy-1-oxo-2-propyl)-1-cyclohexene-1-boronic Acid Pinacol Ester - CAS 1923824-60-5

Name: 4-(1-Ethoxy-1-oxo-2-propyl)-1-cyclohexene-1-boronic Acid Pinacol Ester
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB014876
Product Name:	4-(1-Ethoxy-1-oxo-2-propyl)-1-cyclohexene-1-boronic Acid Pinacol Ester
CAS:	1923824-60-5
Synonyms:	2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-cyclohex-3-enyl]propanoic acid ethyl ester; ethyl 2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclohex-3-en-1-yl]propanoate

Technical Data

IUPAC Name:	ethyl 2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclohex-3-en-1-yl]propanoate
Description:	4-(1-Ethoxy-1-oxo-2-propyl)-1-cyclohexene-1-boronic Acid Pinacol Ester (CAS# 1923824-60-5 ) is a useful research chemical.
Molecular Weight:	308.22
Molecular Formula:	C17H29O4B
Canonical SMILES:	B1(OC(C(O1)(C)C)(C)C)C2=CCC(CC2)C(C)C(=O)OCC
InChI:	InChI=1S/C17H29BO4/c1-7-20-15(19)12(2)13-8-10-14(11-9-13)18-21-16(3,4)17(5,6)22-18/h10,12-13H,7-9,11H2,1-6H3
InChI Key:	BICUCHDJTUIKRJ-UHFFFAOYSA-N

Publication Number	Title	Priority Date
US-2019282714-A1	Radioligands for imaging the ido1 enzyme	20160719
AU-2015342944-A1	Immunoregulatory agents	20141105
EP-3215142-A2	Immunoregulatory agents	20141105
US-10106546-B2	Immunoregulatory agents	20141105
US-10206893-B2	Immunoregulatory agents	20141105

Complexity:	440
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	308.2158896
Formal Charge:	0
Heavy Atom Count:	22
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	308.2158896
Rotatable Bond Count:	5
Topological Polar Surface Area:	44.8
Undefined Atom Stereocenter Count:	2
Undefined Bond Stereocenter Count:	0