Monoethyl pimelate

CAT: 0013-GTR19216777-01Size: 1 gDry Ice: NoHazardous: No

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CAT#:0013-GTR19216777-01Size:1 g

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Description

Monoethyl pimelate is a PROTAC linker, which refers to the alkyl/ether composition. Monoethyl pimelate can be used in the synthesis of (S, R, S) -AHPC-Me-C7 ester, a specific BCL-XL PROTAC degrader.

CAS Number

33018-91-6

Purity

>98% (HPLC)

Smiles

CCOC (=O) CCCCCC (O) =O

Molecular Formula

C9H16O4

Molecular Weight

188.223

Storage Conditions

Storage temperature: -20°C. Stability: ≥ 2 years

Notes

For research use only.

Chemical Information

Ethyl hydrogen heptane-1,7-dioate

CAS Number	33018-91-6
PubChem CID	118383
IUPAC Name	7-ethoxy-7-oxoheptanoic acid
Molecular Formula	C9H16O4
Molecular Weight	188.22
XLogP	1.2
Topological Polar Surface Area	63.6
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	8
Heavy Atom Count	13
Formal Charge	0
Complexity	165

SMILES

CCOC(=O)CCCCCC(=O)O

InChI

InChI=1S/C9H16O4/c1-2-13-9(12)7-5-3-4-6-8(10)11/h2-7H2,1H3,(H,10,11)

InChIKey

NQYXFXWKKYGBNL-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 33018-91-6

CID: 118383

Formula: C9H16O4

MW: 188.22

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	188.22
XLogP3	1.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	8
Exact Mass	188.10485899
Monoisotopic Mass	188.10485899
Topological Polar Surface Area	63.6 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	165
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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Monoethyl pimelate

Chemical Information

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