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STL127705

CAT: 0607-BA2757-1Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0607-BA2757-1Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1326852-06-5
Form
A solid
Molecular Formula
C22H20FN5O4
Molecular Weight
437.42
Shipping Conditions
Blue ice
Storage Conditions
-20°C.

Chemical Information

7-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-3-(3-fluorophenyl)pyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione
CAS Number1326852-06-5
PubChem CID53333307
IUPAC Name2-[2-(3,4-dimethoxyphenyl)ethylamino]-6-(3-fluorophenyl)-8H-pyrimido[4,5-d]pyrimidine-5,7-dione
Molecular FormulaC22H20FN5O4
Molecular Weight437.4
XLogP3.1
Topological Polar Surface Area106
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count7
Heavy Atom Count32
Formal Charge0
Complexity670
SMILES
COC1=C(C=C(C=C1)CCNC2=NC=C3C(=N2)NC(=O)N(C3=O)C4=CC(=CC=C4)F)OC
InChI
InChI=1S/C22H20FN5O4/c1-31-17-7-6-13(10-18(17)32-2)8-9-24-21-25-12-16-19(26-21)27-22(30)28(20(16)29)15-5-3-4-14(23)11-15/h3-7,10-12H,8-9H2,1-2H3,(H2,24,25,26,27,30)
InChIKey
FPVFCXYTLUJPQJ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 7-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-3-(3-fluorophenyl)pyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione
CAS: 1326852-06-5
CID: 53333307
Formula: C22H20FN5O4
MW: 437.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight437.4
XLogP33.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count7
Exact Mass437.14993230
Monoisotopic Mass437.14993230
Topological Polar Surface Area106 Ų
Heavy Atom Count32
Formal Charge0
Complexity670
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

Alternative Products

CatalogName
MBS5753977STL127705
A18410-10STL127705 10mg
A18410-50STL127705 50mg
A18410-25STL127705 25mg
A18410-500STL127705 500mg
A18410-100STL127705 100mg
A18410-5STL127705 5mg
A18410-1STL127705 1mg
A18410-10mM-DSTL127705 10mM * 1mL in DMSO

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