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TA-270

CAT: 0013-GTR19196378-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19196378-01Size:25 mg
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Description
TA-270
CAS Number
194037-25-7
Field of Research
Metabolism Research
Smiles
OC=1C=2C (=CC (NC (C=CC3=CC (OC) =C (O) C (OC) =C3) =O) =CC2) N (C) C (=O) C1OCCCCCCCC
Molecular Formula
C29H36N2O7
Molecular Weight
524.61
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

TA-270

structure in first source

CAS Number194037-25-7
PubChem CID54710630
IUPAC Name(E)-3-(4-hydroxy-3,5-dimethoxyphenyl)-N-(4-hydroxy-1-methyl-3-octoxy-2-oxoquinolin-7-yl)prop-2-enamide
Molecular FormulaC29H36N2O7
Molecular Weight524.6
XLogP5.3
Topological Polar Surface Area118
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count7
Rotatable Bond Count13
Heavy Atom Count38
Formal Charge0
Complexity831
SMILES
CCCCCCCCOC1=C(C2=C(C=C(C=C2)NC(=O)/C=C/C3=CC(=C(C(=C3)OC)O)OC)N(C1=O)C)O
InChI
InChI=1S/C29H36N2O7/c1-5-6-7-8-9-10-15-38-28-26(33)21-13-12-20(18-22(21)31(2)29(28)35)30-25(32)14-11-19-16-23(36-3)27(34)24(17-19)37-4/h11-14,16-18,33-34H,5-10,15H2,1-4H3,(H,30,32)/b14-11+
InChIKey
SZNJINHODJLULD-SDNWHVSQSA-N
Chemical Structure
2D Structure
2D structure of TA-270
CAS: 194037-25-7
CID: 54710630
Formula: C29H36N2O7
MW: 524.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight524.6
XLogP35.3
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count7
Rotatable Bond Count13
Exact Mass524.25225149
Monoisotopic Mass524.25225149
Topological Polar Surface Area118 Ų
Heavy Atom Count38
Formal Charge0
Complexity831
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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