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JB002

CAT: 0013-GTR19208864-03Size: 1 ml x 10 mM (in DMSO)Dry Ice: NoHazardous: No
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CAT#:0013-GTR19208864-03Size:1 ml x 10 mM (in DMSO)
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Description
JB002
CAS Number
30408-07-2
Product Name Alternative
JB002, JB-002, JB 002, Myosin
Field of Research
Signal Transduction
Purity
99.02% (May vary between batches)
Solubility
10% DMSO+90% Corn Oil:2 mg/mL (6.82 mM) ; DMSO:28.1 mg/mL (95.8 mM)
Smiles
C\C (=N/Cc1ccccc1) c1c (O) c2ccccc2oc1=O
Molecular Formula
C18H15NO3
Molecular Weight
293.32
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

(E)-3-(1-(Benzylimino)ethyl)-4-hydroxy-2H-chromen-2-one
CAS Number30408-07-2
PubChem CID136744641
IUPAC Name3-(N-benzyl-C-methylcarbonimidoyl)-4-hydroxychromen-2-one
Molecular FormulaC18H15NO3
Molecular Weight293.3
XLogP2.9
Topological Polar Surface Area58.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Heavy Atom Count22
Formal Charge0
Complexity489
SMILES
CC(=NCC1=CC=CC=C1)C2=C(C3=CC=CC=C3OC2=O)O
InChI
InChI=1S/C18H15NO3/c1-12(19-11-13-7-3-2-4-8-13)16-17(20)14-9-5-6-10-15(14)22-18(16)21/h2-10,20H,11H2,1H3
InChIKey
RLBBDEFOYCZVDK-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of (E)-3-(1-(Benzylimino)ethyl)-4-hydroxy-2H-chromen-2-one
CAS: 30408-07-2
CID: 136744641
Formula: C18H15NO3
MW: 293.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight293.3
XLogP32.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Exact Mass293.10519334
Monoisotopic Mass293.10519334
Topological Polar Surface Area58.9 Ų
Heavy Atom Count22
Formal Charge0
Complexity489
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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