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