Ethyl 6-bromohexanoate

CAT: 0804-HY-W041970-01Size: 25 gDry Ice: NoHazardous: No

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CAT#:0804-HY-W041970-01Size:25 g

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Description

Ethyl 6-bromohexanoate is a linker that can be used to synthesize PROTAC RSS0680.

CAS Number

25542-62-5

UNSPSC

12352211

Hazard Statement

H226, H315, H319, H335

Target

PROTAC Linkers

Related Pathways

PROTAC

Applications

Cancer-programmed cell death

Field of Research

Others

Purity

99.93

Smiles

CCOC(CCCCCBr)=O

Molecular Formula

C8H15BrO2

Molecular Weight

223.11

Precautions

H226, H315, H319, H335

References & Citations

[1]Gray Nathanael S, et al. Bifunctional compounds for targeted protein degradation of kinases: World Intellectual Property Organization, WO2022093742[P]. 2022-05-05.

Shipping Conditions

Room Temperature

Storage Conditions

Store at room temperature 3 years

Scientific Category

Reference compound1

Clinical Information

No Development Reported

Chemical Information

Ethyl 6-bromohexanoate

CAS Number	25542-62-5
PubChem CID	117544
IUPAC Name	ethyl 6-bromohexanoate
Molecular Formula	C8H15BrO2
Molecular Weight	223.11
XLogP	2.2
Topological Polar Surface Area	26.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	7
Heavy Atom Count	11
Formal Charge	0
Complexity	104

SMILES

CCOC(=O)CCCCCBr

InChI

InChI=1S/C8H15BrO2/c1-2-11-8(10)6-4-3-5-7-9/h2-7H2,1H3

InChIKey

DXBULVYHTICWKT-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 25542-62-5

CID: 117544

Formula: C8H15BrO2

MW: 223.11

Interactive 3D Structure

Loading 3D structure...

View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	223.11
XLogP3	2.2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	7
Exact Mass	222.02554
Monoisotopic Mass	222.02554
Topological Polar Surface Area	26.3 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	104
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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Catalog	Name
449502-01	Ethyl 6-Bromohexanoate
sc-234928	Ethyl 2-bromohexanoate
DXC60008-01	Ethyl 6,6-dimethylheptanoate
UMA45262-01	Ethyl 6-sulfohexanoate
YIB43225-01	Ethyl 6-sulfamoylhexanoate
449519-01	Ethyl 6-Hydroxyhexanoate
T84003-01	Ethyl 6-heptenoate
TRC-E678485-5G	Ethyl 6-chlorohexanoate
RG-A262940-01	Ethyl 6-Bromooctanoate
sc-228056	Ethyl 6-isocyanatohexanoate

Ethyl 6-bromohexanoate

Chemical Information

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