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ISRIB (trans-isomer) 2mg

CAT: 0628-A14302-2Size: 2 mgDry Ice: NoHazardous: No
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CAT#:0628-A14302-2Size:2 mg
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CAS Number
1597403-47-8

Chemical Information

2-(4-chlorophenoxy)-N-(4-(2-(4-chlorophenoxy)acetamido)cyclohexyl)acetamide

ISRIB is an organic molecular entity.

CAS Number1597403-47-8
PubChem CID1011240
IUPAC Name2-(4-chlorophenoxy)-N-[4-[[2-(4-chlorophenoxy)acetyl]amino]cyclohexyl]acetamide
Molecular FormulaC22H24Cl2N2O4
Molecular Weight451.3
XLogP4.8
Topological Polar Surface Area76.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count8
Heavy Atom Count30
Formal Charge0
Complexity493
SMILES
C1CC(CCC1NC(=O)COC2=CC=C(C=C2)Cl)NC(=O)COC3=CC=C(C=C3)Cl
InChI
InChI=1S/C22H24Cl2N2O4/c23-15-1-9-19(10-2-15)29-13-21(27)25-17-5-7-18(8-6-17)26-22(28)14-30-20-11-3-16(24)4-12-20/h1-4,9-12,17-18H,5-8,13-14H2,(H,25,27)(H,26,28)
InChIKey
HJGMCDHQPXTGAV-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-(4-chlorophenoxy)-N-(4-(2-(4-chlorophenoxy)acetamido)cyclohexyl)acetamide
CAS: 1597403-47-8
CID: 1011240
Formula: C22H24Cl2N2O4
MW: 451.3
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight451.3
XLogP34.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count8
Exact Mass450.1113126
Monoisotopic Mass450.1113126
Topological Polar Surface Area76.7 Ų
Heavy Atom Count30
Formal Charge0
Complexity493
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
GTR19213727-01ISRIB (trans-isomer)
256959-01Trans-ISRIB

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