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J8-C8

CAT: 0013-GTR19216150-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19216150-01Size:100 mg
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Description
J8-C8 is a small-molecule inhibitor of bacterial N-acyl-homoserine lactone synthase (acyl-HSLs) TofI with IC50 of 35 uM for toxoflavin production.
CAS Number
1150565-77-7
Purity
>98%
Smiles
O=C (CCCCCCC) NC1=CC (CCC1) =O
Molecular Formula
C14H23NO2
Molecular Weight
237.33792424202
Notes
For research use only.

Chemical Information

N-(3-Oxocyclohex-1-En-1-Yl)octanamide
CAS Number1150565-77-7
PubChem CID53239922
IUPAC NameN-(3-oxocyclohexen-1-yl)octanamide
Molecular FormulaC14H23NO2
Molecular Weight237.34
XLogP2.8
Topological Polar Surface Area46.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count7
Heavy Atom Count17
Formal Charge0
Complexity295
SMILES
CCCCCCCC(=O)NC1=CC(=O)CCC1
InChI
InChI=1S/C14H23NO2/c1-2-3-4-5-6-10-14(17)15-12-8-7-9-13(16)11-12/h11H,2-10H2,1H3,(H,15,17)
InChIKey
USNFUKCPLYEHLS-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-(3-Oxocyclohex-1-En-1-Yl)octanamide
CAS: 1150565-77-7
CID: 53239922
Formula: C14H23NO2
MW: 237.34
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight237.34
XLogP32.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count7
Exact Mass237.172878976
Monoisotopic Mass237.172878976
Topological Polar Surface Area46.2 Ų
Heavy Atom Count17
Formal Charge0
Complexity295
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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