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TMPA

CAT: 0013-GTR19157748-01Size: 1 gDry Ice: NoHazardous: No
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CAT#:0013-GTR19157748-01Size:1 g
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Description
TMPA is a nuclear receptor Nur77 and LKB1 interaction antagonist.
CAS Number
1258275-73-8
Field of Research
Musculoskeletal & Connective Tissue Research
Purity
>98% (HPLC)
Solubility
DMSO :90 mg/mL (236.54 mM) ; H2O : < 0.1 mg/mL (insoluble)
Smiles
COC1=C (CC (OCC) =O) C (C (CCCCCCC) =O) =CC (OC) =C1OC
Molecular Formula
C21H32O6
Molecular Weight
380.48
Storage Conditions
Storage temperature: -20°C. Stability: ≥ 2 years
Notes
For research use only.

Chemical Information

Ethyl 2-(2,3,4-trimethoxy-6-(1-octanoyl)phenyl)acetate

Ethyl (2,3,4-trimethoxy-6-octanoylphenyl)acetate is an aromatic ketone.

CAS Number1258275-73-8
PubChem CID60146245
IUPAC Nameethyl 2-(2,3,4-trimethoxy-6-octanoylphenyl)acetate
Molecular FormulaC21H32O6
Molecular Weight380.5
XLogP4.7
Topological Polar Surface Area71.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count14
Heavy Atom Count27
Formal Charge0
Complexity438
SMILES
CCCCCCCC(=O)C1=CC(=C(C(=C1CC(=O)OCC)OC)OC)OC
InChI
InChI=1S/C21H32O6/c1-6-8-9-10-11-12-17(22)15-13-18(24-3)21(26-5)20(25-4)16(15)14-19(23)27-7-2/h13H,6-12,14H2,1-5H3
InChIKey
WCYMJQXRLIDSAQ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Ethyl 2-(2,3,4-trimethoxy-6-(1-octanoyl)phenyl)acetate
CAS: 1258275-73-8
CID: 60146245
Formula: C21H32O6
MW: 380.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight380.5
XLogP34.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count14
Exact Mass380.21988874
Monoisotopic Mass380.21988874
Topological Polar Surface Area71.1 Ų
Heavy Atom Count27
Formal Charge0
Complexity438
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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