AG00AQFJ

Name: 2-(4-Butoxy-3-cyanophenyl)-4-methylthiazole-5-carboxylic acid
Brand: Angene Chemical
SKU: AG00AQFJ

1657014-33-9 | 2-(4-Butoxy-3-cyanophenyl)-4-methylthiazole-5-carboxylic acid

AG00AQFJ

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COA

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$0.00

WARNING This product is not for human or veterinary use.

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CAS Number	1657014-33-9
Catalog Number	AG00AQFJ(AGN-PC-0WH5WK)
Chemical Name	2-(4-Butoxy-3-cyanophenyl)-4-methylthiazole-5-carboxylic acid
IUPAC Name	2-(4-butoxy-3-cyanophenyl)-4-methyl-1,3-thiazole-5-carboxylic acid
InChI	InChI=1S/C16H16N2O3S/c1-3-4-7-21-13-6-5-11(8-12(13)9-17)15-18-10(2)14(22-15)16(19)20/h5-6,8H,3-4,7H2,1-2H3,(H,19,20)
InChI Key	KFYGOMDVRIXGBJ-UHFFFAOYSA-N
MDL Number	MFCD31652176
Molecular Formula	C16H16N2O3S
Molecular Weight	316.3748
SMILES	OC(C(SC(C1=CC(C#N)=C(OCCCC)C=C1)=N2)=C2C)=O
Synonyms	1657014-33-9, 2-(4-Butoxy-3-cyanophenyl)-4-methylthiazole-5-carboxylic acid, Febuxostat n-butyl isomer,

Complexity	436
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	316.088g/mol
Formal Charge	0
Heavy Atom Count	22
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	316.375g/mol
Monoisotopic Mass	316.088g/mol
Rotatable Bond Count	6
Topological Polar Surface Area	111A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.8

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