AG01E028

Name: ETP45658
Brand: Angene Chemical
SKU: AG01E028

1198357-79-7 | ETP45658

AG01E028

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CAS Number	1198357-79-7
Catalog Number	AG01E028
Chemical Name	ETP45658
IUPAC Name	3-(1-methyl-4-morpholin-4-ylpyrazolo[3,4-d]pyrimidin-6-yl)phenol
InChI	InChI=1S/C16H17N5O2/c1-20-15-13(10-17-20)16(21-5-7-23-8-6-21)19-14(18-15)11-3-2-4-12(22)9-11/h2-4,9-10,22H,5-8H2,1H3
InChI Key	BJVRNXSHJLDZJR-UHFFFAOYSA-N
MDL Number	MFCD29081201
Molecular Formula	C16H17N5O2
Molecular Weight	311.3385
SMILES	OC1=CC=CC(C2=NC(N(C)N=C3)=C3C(N4CCOCC4)=N2)=C1
Synonyms	ETP 45658, ETP-45658, ETP45658, ETP 45658, 1198357-79-7, SCHEMBL12684765, BDBM92585, ETP45658, ZINC59155589, AKOS025293482, ETP-45658, 13, 3-(4-Morpholino-1-methyl-1H-pyrazolo[3,4-d]pyrimidine-6-yl)phenol, 3-[1-Methyl-4-(4-morpholinyl)-1H-pyrazolo[3,4-d]pyrimidin-6-ylphenol, BJVRNXSHJLDZJR-UHFFFAOYSA-N,

Complexity	406
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	311.138g/mol
Formal Charge	0
Heavy Atom Count	23
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	311.345g/mol
Monoisotopic Mass	311.138g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	76.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.6

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