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STF-1084

CAT: 1410-M39433Size: 1 EachDry Ice: NoHazardous: No
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CAT#:1410-M39433Size:1 Each
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Description
STF-1084
CAS Number
2298390-71-1
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
———
Molecular Formula
———
Notes
Research use only, not for human use.
Receptor
Other Targets

Chemical Information

{2-[1-(6,7-Dimethoxyquinazolin-4-yl)piperidin-4-yl]ethyl}phosphonic acid
CAS Number2298390-71-1
PubChem CID137550544
IUPAC Name2-[1-(6,7-dimethoxyquinazolin-4-yl)piperidin-4-yl]ethylphosphonic acid
Molecular FormulaC17H24N3O5P
Molecular Weight381.4
XLogP1.2
Topological Polar Surface Area105
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count6
Heavy Atom Count26
Formal Charge0
Complexity497
SMILES
COC1=C(C=C2C(=C1)C(=NC=N2)N3CCC(CC3)CCP(=O)(O)O)OC
InChI
InChI=1S/C17H24N3O5P/c1-24-15-9-13-14(10-16(15)25-2)18-11-19-17(13)20-6-3-12(4-7-20)5-8-26(21,22)23/h9-12H,3-8H2,1-2H3,(H2,21,22,23)
InChIKey
SNLWMWQNJTVWKD-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of {2-[1-(6,7-Dimethoxyquinazolin-4-yl)piperidin-4-yl]ethyl}phosphonic acid
CAS: 2298390-71-1
CID: 137550544
Formula: C17H24N3O5P
MW: 381.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight381.4
XLogP31.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count6
Exact Mass381.14535787
Monoisotopic Mass381.14535787
Topological Polar Surface Area105 Ų
Heavy Atom Count26
Formal Charge0
Complexity497
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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