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Podilfen

CAT: 0931-T87230-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-T87230-02Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
13409-53-5
Target
Others, Antibacterial
Related Pathways
Microbiology/Virology, Others
Bioactivity
Podilfen is an active fraction derived from Delftia strains 2189 [1].
Smiles
C(C(C)N1CCN(CC1)C2=NC(C)=CS2)C=3C=C4C(=CC3)OCO4
Molecular Formula
C18H23N3O2S
Molecular Weight
345.46
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Podilfen
CAS Number13409-53-5
PubChem CID3050403
IUPAC Name2-[4-[1-(1,3-benzodioxol-5-yl)propan-2-yl]piperazin-1-yl]-4-methyl-1,3-thiazole
Molecular FormulaC18H23N3O2S
Molecular Weight345.5
XLogP3.8
Topological Polar Surface Area66.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Heavy Atom Count24
Formal Charge0
Complexity419
SMILES
CC1=CSC(=N1)N2CCN(CC2)C(C)CC3=CC4=C(C=C3)OCO4
InChI
InChI=1S/C18H23N3O2S/c1-13-11-24-18(19-13)21-7-5-20(6-8-21)14(2)9-15-3-4-16-17(10-15)23-12-22-16/h3-4,10-11,14H,5-9,12H2,1-2H3
InChIKey
ZDFJACWXFWFFKY-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Podilfen
CAS: 13409-53-5
CID: 3050403
Formula: C18H23N3O2S
MW: 345.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight345.5
XLogP33.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Exact Mass345.15109816
Monoisotopic Mass345.15109816
Topological Polar Surface Area66.1 Ų
Heavy Atom Count24
Formal Charge0
Complexity419
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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CatalogName
462763-01Podilfen

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