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Metarrestin

CAT: 0607-BA3987-25Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0607-BA3987-25Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1443414-10-5
Form
A solid
Molecular Formula
C31H30N4O
Molecular Weight
474.60
Shipping Conditions
Blue ice
Storage Conditions
-20°C.

Chemical Information

Metarrestin

See also: Ml-246 (annotation moved to).

CAS Number1443414-10-5
PubChem CID50985821
IUPAC Name4-(7-benzyl-4-imino-5,6-diphenylpyrrolo[2,3-d]pyrimidin-3-yl)cyclohexan-1-ol
Molecular FormulaC31H30N4O
Molecular Weight474.6
XLogP5.6
Topological Polar Surface Area64.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count5
Heavy Atom Count36
Formal Charge0
Complexity759
SMILES
C1CC(CCC1N2C=NC3=C(C2=N)C(=C(N3CC4=CC=CC=C4)C5=CC=CC=C5)C6=CC=CC=C6)O
InChI
InChI=1S/C31H30N4O/c32-30-28-27(23-12-6-2-7-13-23)29(24-14-8-3-9-15-24)34(20-22-10-4-1-5-11-22)31(28)33-21-35(30)25-16-18-26(36)19-17-25/h1-15,21,25-26,32,36H,16-20H2
InChIKey
WSMXAUJFLWRPNT-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Metarrestin
CAS: 1443414-10-5
CID: 50985821
Formula: C31H30N4O
MW: 474.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight474.6
XLogP35.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count5
Exact Mass474.24196159
Monoisotopic Mass474.24196159
Topological Polar Surface Area64.6 Ų
Heavy Atom Count36
Formal Charge0
Complexity759
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
T12006-01Metarrestin
A18795-100Metarrestin 100mg
A18795-5Metarrestin 5mg
A18795-25Metarrestin 25mg
A18795-1Metarrestin 1mg
A18795-500Metarrestin 500mg
A18795-50Metarrestin 50mg
A18795-10Metarrestin 10mg
A18795-2Metarrestin 2mg

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