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1,4-Di (3-hydroxypropoxy) butane

CAT: 0013-GTR19262336-01Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19262336-01Size:50 mg
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Description
1,4-Di (3-hydroxypropoxy) butane serves as a linker used in the synthesis of PROTACAster-A degrader-1 for the creation of PROTAC.
CAS Number
2052305-98-1
Field of Research
Pharmacology & Drug Discovery
Smiles
OCCCOCCCCOCCCO
Molecular Formula
C10H22O4
Molecular Weight
206.28
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

3,3-(Butane-1,4-diylbis(oxy))bis(propan-1-ol)
CAS Number2052305-98-1
PubChem CID124108669
IUPAC Name3-[4-(3-hydroxypropoxy)butoxy]propan-1-ol
Molecular FormulaC10H22O4
Molecular Weight206.28
XLogP0
Topological Polar Surface Area58.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count11
Heavy Atom Count14
Formal Charge0
Complexity86
SMILES
C(CCOCCCO)COCCCO
InChI
InChI=1S/C10H22O4/c11-5-3-9-13-7-1-2-8-14-10-4-6-12/h11-12H,1-10H2
InChIKey
RLGUTPYKYZZWDE-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3,3-(Butane-1,4-diylbis(oxy))bis(propan-1-ol)
CAS: 2052305-98-1
CID: 124108669
Formula: C10H22O4
MW: 206.28
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight206.28
XLogP30
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count11
Exact Mass206.15180918
Monoisotopic Mass206.15180918
Topological Polar Surface Area58.9 Ų
Heavy Atom Count14
Formal Charge0
Complexity86.1
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
HY-W4420851,4-Di (3-hydroxypropoxy) butane
280645-011,4-Di[3- (3-isothiocyanatophenyl) thioureido]butane
BICL1121,2-Di[3'- (2'-pyridyldithio) propionamido]butane
RAA92905-011- (3,4-Methylenedioxyphenyl) butane
abx180837-01N1,N4-Di(buta-2,3-dienyl)butane-1,4-diamine
FD154279-01N1, N4-Di (buta-2,3-dienyl) butane-1,4-diamine dihydrochloride
JH445196Butane-1,2,3,4-tetrol
sc-2377441,4-Bis (3-aminopropoxy) butane
408027-011- (4-Bromophenyl) butane-1,3-dione
sc-2730571- (4-methylphenyl) butane-1,3-dione

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