AG01ENW6

Name: TR antagonist 1
Brand: Angene Chemical
SKU: AG01ENW6

500794-88-7 | TR antagonist 1

AG01ENW6

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CAS Number	500794-88-7
Catalog Number	AG01ENW6(AGN-PC-0S6539)
Chemical Name	TR antagonist 1
IUPAC Name	3-[3,5-dibromo-4-[4-hydroxy-3-propan-2-yl-5-[(E)-2-pyridin-4-ylethenyl]phenoxy]phenyl]propanoic acid
InChI	InChI=1S/C25H23Br2NO4/c1-15(2)20-14-19(13-18(24(20)31)5-3-16-7-9-28-10-8-16)32-25-21(26)11-17(12-22(25)27)4-6-23(29)30/h3,5,7-15,31H,4,6H2,1-2H3,(H,29,30)/b5-3+
InChI Key	JFQSWHAFVANRQE-HWKANZROSA-N
MDL Number	MFCD31657390
Molecular Formula	C25H23Br2NO4
Molecular Weight	561.2624
SMILES	C1(CCC(O)=O)=CC(Br)=C(OC2=CC(/C=C/C3C=CN=CC=3)=C(O)C(C(C)C)=C2)C(Br)=C1
Synonyms	TR antagonist 1, thyromimetic, 6, JMC496635 Compound 6, CHEMBL217221, SCHEMBL5361672, BDBM18886, JFQSWHAFVANRQE-HWKANZROSA-N, 500794-88-7, HY-111443, CS-0040844, 3-{3,5-dibromo-4-[4-hydroxy-3-(propan-2-yl)-5-[(E)-2-(pyridin-4-yl)ethenyl]phenoxy]phenyl}propanoic acid, 3-{3,5-dibromo-4-[4-hydroxy-3-isopropyl-5-((E)-2-pyridin-4-yl-vinyl)phenoxy]phenyl}propionic acid, CID10187878, CID 10187878,

Complexity	613
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Exact Mass	560.997g/mol
Formal Charge	0
Heavy Atom Count	32
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	561.27g/mol
Monoisotopic Mass	558.999g/mol
Rotatable Bond Count	8
Topological Polar Surface Area	79.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	6.6

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