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CAS 161798-01-2 manufacturers and suppliers on PharmaCompass

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CAS 161798-01-2

Chemistry, 4 End Use API, 28 Related Intermediates

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4 Suppliers

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CAS 161798-01-2

Also known as:

Molecular Formula

C₁₄H₁₃NO₄S

Molecular Weight

291.32 g/mol

InChI Key

UIJOKDCOTANGQI-LCYFTJDESA-N

1 2D Structure

CAS 161798-01-2

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

ethyl (2Z)-2-(3-formyl-4-oxocyclohexa-2,5-dien-1-ylidene)-4-methyl-3H-1,3-thiazole-5-carboxylate

2.1.2 InChI

InChI=1S/C14H13NO4S/c1-3-19-14(18)12-8(2)15-13(20-12)9-4-5-11(17)10(6-9)7-16/h4-7,15H,3H2,1-2H3/b13-9-

2.1.3 InChI Key

UIJOKDCOTANGQI-LCYFTJDESA-N

2.1.4 Canonical SMILES

CCOC(=O)C1=C(NC(=C2C=CC(=O)C(=C2)C=O)S1)C

2.1.5 Isomeric SMILES

CCOC(=O)C1=C(N/C(=C/2\C=CC(=O)C(=C2)C=O)/S1)C

2.2 Create Date

2010-06-17

3 Chemical and Physical Properties

Molecular Formula	C₁₄H₁₃NO₄S
Molecular Weight	291.32 g/mol
XLogP3	1.8
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	4
Exact Mass	291.05652907 g/mol
Monoisotopic Mass	291.05652907 g/mol
Topological Polar Surface Area	97.8 A^2
Heavy Atom Count	20
Formal Charge	0
Complexity	611
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

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Beijing Mesochem Technology

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Digital Content

Ethyl 2-(3-formyl-4-hydroxyphenyl)-4-methylthiazole-5-c...

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URL Supplier Web Content

CAS Number

CAS-161798-01-2

End Use API

Febuxostat

About the Company

Beijing Mesochem Technology Co. Ltd., which is located in the national economic and technological develop...

Beijing Mesochem Technology Co. Ltd., which is located in the national economic and technological development area of Yizhuang, China, manufactures pharmaceutical chemicals, fine chemicals and fundamental chemical materials. It has an efficient research and development team. Beijing Mesochem provides its customers customized development, craft optimization, contract customization and outsourcing services. The company has a well-established industrial base in Weinan, Shanxi Province. The production base features a 20,000 ㎡ plant with a production capacity of over 8,000 MT per year.

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