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THP-CH3-ethyl propionate

CAT: 0931-T40444Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-T40444Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
3539-40-0
Target
Others, PROTAC Linker
Related Pathways
Others, PROTAC
Bioactivity
THP-CH3-ethyl propionate is a PROTAC linker composed of alkyl and ether groups. It finds utility in PROTAC synthesis.
Smiles
CCOC(=O)C(C)OC1CCCCO1
Molecular Formula
C10H18O4
Molecular Weight
202.25
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Ethyl 2-(oxan-2-yloxy)propanoate
CAS Number3539-40-0
PubChem CID319942
IUPAC Nameethyl 2-(oxan-2-yloxy)propanoate
Molecular FormulaC10H18O4
Molecular Weight202.25
XLogP1.6
Topological Polar Surface Area44.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Heavy Atom Count14
Formal Charge0
Complexity181
SMILES
CCOC(=O)C(C)OC1CCCCO1
InChI
InChI=1S/C10H18O4/c1-3-12-10(11)8(2)14-9-6-4-5-7-13-9/h8-9H,3-7H2,1-2H3
InChIKey
KXSNMSYBVPOHGJ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Ethyl 2-(oxan-2-yloxy)propanoate
CAS: 3539-40-0
CID: 319942
Formula: C10H18O4
MW: 202.25
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight202.25
XLogP31.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Exact Mass202.12050905
Monoisotopic Mass202.12050905
Topological Polar Surface Area44.8 Ų
Heavy Atom Count14
Formal Charge0
Complexity181
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count2
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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