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Cyclo (Ala-Phe)

CAT: 0013-GTR19179314Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19179314Size:10 mg
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Description
Cyclo (Phe-Ala) is a bioactive diketopiperazine demonstrating anti-diatom activity, achieving 50% inhibition at 50 μg/mL. This compound is used in marine biofouling research and in ecological studies to investigate natural product mechanisms in both laboratory and environmental settings.
CAS Number
14474-78-3
Smiles
O=C1NC (C (=O) NC1C) CC=2C=CC=CC2
Molecular Formula
C12H14N2O2
Molecular Weight
218.25
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

3-Benzyl-6-methyl-2,5-piperazinedione
CAS Number14474-78-3
PubChem CID139767
IUPAC Name3-benzyl-6-methylpiperazine-2,5-dione
Molecular FormulaC12H14N2O2
Molecular Weight218.25
XLogP0.7
Topological Polar Surface Area58.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Heavy Atom Count16
Formal Charge0
Complexity285
SMILES
CC1C(=O)NC(C(=O)N1)CC2=CC=CC=C2
InChI
InChI=1S/C12H14N2O2/c1-8-11(15)14-10(12(16)13-8)7-9-5-3-2-4-6-9/h2-6,8,10H,7H2,1H3,(H,13,16)(H,14,15)
InChIKey
CNXWPOWVDIUTPS-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-Benzyl-6-methyl-2,5-piperazinedione
CAS: 14474-78-3
CID: 139767
Formula: C12H14N2O2
MW: 218.25
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight218.25
XLogP30.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Exact Mass218.105527694
Monoisotopic Mass218.105527694
Topological Polar Surface Area58.2 Ų
Heavy Atom Count16
Formal Charge0
Complexity285
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count2
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

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PAA47478-01Cyclo (Ala-Phe)
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4002354.0001Cyclo (-Ala-Ala)
RG-P022740-01Cyclo (Ala-Ala)
G-1655.0005Cyclo(-Ala-Ala)
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