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2- (9-Bromononyl) -1,3-dioxolane

CAT: 0804-HY-W842525Size: 1 EachDry Ice: NoHazardous: No
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Description
2- (9-Bromononyl) -1,3-dioxolane is a PROTAC linker that can be used in the synthesis of PROTACs.
CAS Number
59014-60-7
UNSPSC
12352005
Target
PROTAC Linkers
Related Pathways
PROTAC
Field of Research
Cancer
Smiles
BrCCCCCCCCCC1OCCO1
Molecular Formula
C12H23BrO2
Molecular Weight
279.22
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

1,3-Dioxolane, 2-(9-bromononyl)-
CAS Number59014-60-7
PubChem CID11055026
IUPAC Name2-(9-bromononyl)-1,3-dioxolane
Molecular FormulaC12H23BrO2
Molecular Weight279.21
XLogP4.2
Topological Polar Surface Area18.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count9
Heavy Atom Count15
Formal Charge0
Complexity136
SMILES
C1COC(O1)CCCCCCCCCBr
InChI
InChI=1S/C12H23BrO2/c13-9-7-5-3-1-2-4-6-8-12-14-10-11-15-12/h12H,1-11H2
InChIKey
ULTHUVRMKRYADV-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1,3-Dioxolane, 2-(9-bromononyl)-
CAS: 59014-60-7
CID: 11055026
Formula: C12H23BrO2
MW: 279.21
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight279.21
XLogP34.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count9
Exact Mass278.08814
Monoisotopic Mass278.08814
Topological Polar Surface Area18.5 Ų
Heavy Atom Count15
Formal Charge0
Complexity136
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
GTR19275503-012- (9-Bromononyl) -1,3-dioxolane
OR10753372- (9-Bromononyl-1-oxy) tetrahydropyran / 2- ((9-Bromononyl) oxy) oxane
FB152400-01(7a,17beta) -7- (9-Bromononyl) estra-1,3,5 (10) -triene-3,17-diol
439860-01(7a,17b) -7- (9-Bromononyl) estra-1,3,5 (10) -triene-3,17-diol
DGA86529-016-Methoxy-1,2,4,9-tetrahydrospiro[carbazole-3,2'-[1,3]dioxolane]
AKB57363(7 alpha, 17 beta) -17- (Acetyloxy) -7- (9-bromononyl) estr-4-en-3-one
TRC-D246320-250MG(Z)-2,2-Dimethyl-4-((octadec-9-en-1-yloxy)methyl)-1,3-dioxolane
AP KR 0630-011',5',8'-trihydroxyspiro[1,3-dioxolane-2,3'-2,4,4a,9a-tetrahydro-1H-anthracene]-9',10'-dione
JH9169729-[1,1'-Biphenyl-3-yl-3,9:3',9"-ter-9H-carbazole
AP KB 0010-016',11'-dihydroxyspiro[1,3-dioxolane-2,9'-8,10-dihydro-7H-tetracene]-5',12'-dione

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