AG00DDEE

Name: TAK1-IN-3
Brand: Angene Chemical
SKU: AG00DDEE

494772-87-1 | TAK1-IN-3

AG00DDEE

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CAS Number	494772-87-1
Catalog Number	AG00DDEE(AGN-PC-03HN7Q)
Chemical Name	TAK1-IN-3
IUPAC Name	3-amino-5-[4-(morpholin-4-ylmethyl)phenyl]thiophene-2-carboxamide
InChI	InChI=1S/C16H19N3O2S/c17-13-9-14(22-15(13)16(18)20)12-3-1-11(2-4-12)10-19-5-7-21-8-6-19/h1-4,9H,5-8,10,17H2,(H2,18,20)
InChI Key	UNTPTSFVGRSTDC-UHFFFAOYSA-N
MDL Number	MFCD28127210
Molecular Formula	C16H19N3O2S
Molecular Weight	317.4060
SMILES	C1(C(N)=O)SC(C2=CC=C(CN3CCOCC3)C=C2)=CC=1N
Synonyms	494772-87-1, 3-Amino-5-[4-(morpholin-4-ylmethyl)phenyl]thiophene-2-carboxamide, N-Des(aminocarbonyl) AZ-TAK1 Inhibitor, SCHEMBL1926925, DTXSID80619992, ZINC77271340, AKOS028114319, FT-0661950, 2-Thiophenecarboxamide, 3-amino-5-[4-(4-morpholinylmethyl)phenyl]-, 3-Amino-5-[4-(4-morpholinylmethyl)phenyl]-2-thiophenecarboxamide, 3-Amino-5-{4-[(morpholin-4-yl)methyl]phenyl}thiophene-2-carboxamide, UNTPTSFVGRSTDC-UHFFFAOYSA-N, CS-T-03106, 3-amino-5-(4-(morpholinomethyl)phenyl)thiophene-2-carboxamide,

Complexity	382
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	317.12g/mol
Formal Charge	0
Heavy Atom Count	22
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	317.407g/mol
Monoisotopic Mass	317.12g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	110A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.8

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