161798-02-3

Chemistry, 2 End Use API, 34 Related Intermediates

Manufacturers/Suppliers

2 Suppliers

2 Suppliers

Also known as: 161798-02-3, Ethyl 2-(3-cyano-4-hydroxyphenyl)-4-methyl-1,3-thiazole-5-carboxylate, Febuxostat impurity 5, Schembl469731, Amy3854, Dtxsid90694871

Molecular Formula

C₁₄H₁₂N₂O₃S

Molecular Weight

288.32 g/mol

InChI Key

WTMZFYPEMMFHPR-UHFFFAOYSA-N

1 2D Structure

161798-02-3

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

ethyl 2-(3-cyano-4-hydroxyphenyl)-4-methyl-1,3-thiazole-5-carboxylate

2.1.2 InChI

InChI=1S/C14H12N2O3S/c1-3-19-14(18)12-8(2)16-13(20-12)9-4-5-11(17)10(6-9)7-15/h4-6,17H,3H2,1-2H3

2.1.3 InChI Key

WTMZFYPEMMFHPR-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CCOC(=O)C1=C(N=C(S1)C2=CC(=C(C=C2)O)C#N)C

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 161798-02-3

2. Ethyl 2-(3-cyano-4-hydroxyphenyl)-4-methyl-1,3-thiazole-5-carboxylate

3. Febuxostat Impurity 5

4. Schembl469731

5. Amy3854

6. Dtxsid90694871

7. Wtmzfypemmfhpr-uhfffaoysa-n

8. Ethyl2-(3-cyano-4-hydroxyphenyl)-4-methylthiazole-5-carboxylate

9. Mfcd15144699

10. Akos015891491

11. Ac-30593

12. Ds-18575

13. A3588

14. Cs-0061550

15. F19398

16. Ethyl-2-(3-cyano-4-hydroxyphenyl)-4-methyl-5-thiazole Carboxylate

17. 2-(3-cyano-4-hydroxyphenyl)-4-methylthiazole-5-carboxylic Acid Ethyl Ester

18. Ethyl2-(3-cyano-4-hydroxyphenyl)-4-methyl-1,3-thiazole-5-carboxylate

19. 5-thiazolecarboxylic Acid, 2-(3-cyano-4-hydroxyphenyl)-4-methyl-, Ethyl Ester

20. Ethyl 2-(3-cyano-4-oxocyclohexa-2,5-dien-1-ylidene)-4-methyl-2,3-dihydro-1,3-thiazole-5-carboxylate

2.3 Create Date

2019-01-16

3 Chemical and Physical Properties

Molecular Formula	C₁₄H₁₂N₂O₃S
Molecular Weight	288.32 g/mol
XLogP3	3.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	4
Exact Mass	g/mol
Monoisotopic Mass	g/mol
Topological Polar Surface Area	111
Heavy Atom Count	20
Formal Charge	0
Complexity	409
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

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Jinan Tantu Chemicals

Jinan Tantu Chemicals offers customized R&D services & production of small molecule APIs & pharmaceutical intermediates.

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China

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Febuxostat

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CAS Number

161798-02-3

Intermediate Name

Ethyl 2-(3-Cyano-4-hydroxyphenyl)-4...

About the Company

Jinan Tantu Chemicals Co., Ltd. operates as a Contract Development and Manufacturing Organization (CDMO) ...

Jinan Tantu Chemicals Co., Ltd. operates as a Contract Development and Manufacturing Organization (CDMO) that serves pharmaceutical companies worldwide. Our core services include customized R&D as well as the production of small molecule pharmaceutical intermediates and Active Pharmaceutical Ingredients (APIs) for both international and domestic pharmaceutical firms. Our capabilities span from laboratory-scale kilograms to commercial ton-scale production. Additionally, we are committed to independent research and development, as well as the production and sales of high-end pharmaceutical intermediates and API products.

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Booth #E7E40

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Shandong Boyuan Pharmaceutical

Shandong Boyuan is a Chinese manufacturer of GMP & CEP APIs & pharmaceutical intermediates.

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China

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Digital Content

Febuxostat

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URL Supplier Web Content

CAS Number

161798-02-3

Intermediate Name

Ethyl 2-(3-cyano-4-hydroxyphenyl)-4...

About the Company

We are one of the well-known manufacturers of key APIs & intermediates in China, with 20 years of experie...

We are one of the well-known manufacturers of key APIs & intermediates in China, with 20 years of experience & presence in 20+ countries. At Boyuan, we are committed to providing high-quality products & services. Formerly known as “Jinan Boyuan Chemical Co., Ltd” & “Shandong Boyuan Chemical Co., Ltd.” Boyuan was founded in June 2001. We have 2 manufacturing plants in the cities of Jiyang & Yucheng in Shandong Province, China & both are in line with the GMP standard, following a strict quality system & conforming with international standards. Boyuan is dedicated to anti-cancer, anti-fungal & other APIs & intermediates associated.