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Fmoc-NH-PEG15-CH2CH2COOH

CAT: 0013-GTR19226368-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19226368-01Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Fmoc-NH-PEG15-CH2CH2COOH is a heterobifunctional linker used in constructing PROTAC molecules for targeted protein degradation research. Its extended, hydrophilic PEG spacer enhances solubility and bioavailability, facilitating the development of degraders for both in vitro and in vivo experimental applications.
CAS Number
2378590-46-4
Field of Research
Pharmacology & Drug Discovery
Smiles
O=C (O) CCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCNC (=O) OCC1C=2C=CC=CC2C=3C=CC=CC31
Molecular Formula
C48H77NO19
Molecular Weight
972.12
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Fmoc-NH-PEG15-CH2CH2COOH
CAS Number2378590-46-4
PubChem CID118988534
IUPAC Name3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(9H-fluoren-9-ylmethoxycarbonylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid
Molecular FormulaC48H77NO19
Molecular Weight972.1
XLogP0.3
Topological Polar Surface Area214
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count19
Rotatable Bond Count51
Heavy Atom Count68
Formal Charge0
Complexity1120
SMILES
C1=CC=C2C(=C1)C(C3=CC=CC=C32)COC(=O)NCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCC(=O)O
InChI
InChI=1S/C48H77NO19/c50-47(51)9-11-53-13-15-55-17-19-57-21-23-59-25-27-61-29-31-63-33-35-65-37-39-67-40-38-66-36-34-64-32-30-62-28-26-60-24-22-58-20-18-56-16-14-54-12-10-49-48(52)68-41-46-44-7-3-1-5-42(44)43-6-2-4-8-45(43)46/h1-8,46H,9-41H2,(H,49,52)(H,50,51)
InChIKey
QQVRPRDTWMHMMF-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Fmoc-NH-PEG15-CH2CH2COOH
CAS: 2378590-46-4
CID: 118988534
Formula: C48H77NO19
MW: 972.1
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight972.1
XLogP30.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count19
Rotatable Bond Count51
Exact Mass971.50897923
Monoisotopic Mass971.50897923
Topological Polar Surface Area214 Ų
Heavy Atom Count68
Formal Charge0
Complexity1120
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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