AG01E6RR

Name: Tws119
Brand: Angene Chemical
SKU: AG01E6RR

1507095-58-0 | Tws119

AG01E6RR

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CAS Number	1507095-58-0
Catalog Number	AG01E6RR
Chemical Name	Tws119
IUPAC Name	3-[[6-(3-aminophenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]oxy]phenol;2,2,2-trifluoroacetic acid
InChI	InChI=1S/C18H14N4O2.2C2HF3O2/c19-12-4-1-3-11(7-12)16-9-15-17(22-16)20-10-21-18(15)24-14-6-2-5-13(23)8-14;23-2(4,5)1(6)7/h1-10,23H,19H2,(H,20,21,22);2(H,6,7)
InChI Key	XJEFPMFFWJTJSL-UHFFFAOYSA-N
MDL Number	MFCD09037535
Molecular Formula	C22H16F6N4O6
Molecular Weight	546.3761
SMILES	NC1=CC(C2=CC3=C(OC4=CC(O)=CC=C4)N=CN=C3N2)=CC=C1.O=C(C(F)(F)F)O.O=C(C(F)(F)F)O
Synonyms	TWS 119, TWS-119, TWS119, TWS 119, 1507095-58-0, TWS 119 - Bio-X, AKOS024457823, 3-[[6-(3-Aminophenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]oxyphenol ditrifluoroacetate, TWS-119, XJEFPMFFWJTJSL-UHFFFAOYSA-N, 601514-19-6,

Complexity	507
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	3
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	546.097g/mol
Formal Charge	0
Heavy Atom Count	38
Hydrogen Bond Acceptor Count	15
Hydrogen Bond Donor Count	5
Isotope Atom Count	0
Molecular Weight	546.382g/mol
Monoisotopic Mass	546.097g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	172A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

CERTIFICATE OF ANALYSIS

Analysis Data:

Test:

Result:

Conclusion: The above product meets the specifications of Angene.

Analyst:Chase

Date:

Reviewed by:Jessie

Date:

Angene International Limited