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CAS 144060-96-8

Chemistry, 1 End Use API, 31 Related Intermediates

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Also known as: 144060-96-8, Ethyl 2-[3-bromo-4-(2-methylpropoxy)phenyl]-4-methyl-1,3-thiazole-5-carboxylate, Ethyl 2-(3-bromo-4-isobutoxyphenyl)- 4-methyl-5-thiazolecarboxylate, Ethyl 2-(3-bromo-4-isobutoxyphenyl)-4-methylthiazole-5-carboxylate, Ethyl2-(3-bromo-4-isobutoxyphenyl)-4-methyl-5-thiazolecarboxylate, Schembl455907

Molecular Formula

C₁₇H₂₀BrNO₃S

Molecular Weight

398.3 g/mol

InChI Key

LTBYCVZIMRJPCD-UHFFFAOYSA-N

1 2D Structure

CAS 144060-96-8

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

ethyl 2-[3-bromo-4-(2-methylpropoxy)phenyl]-4-methyl-1,3-thiazole-5-carboxylate

2.1.2 InChI

InChI=1S/C17H20BrNO3S/c1-5-21-17(20)15-11(4)19-16(23-15)12-6-7-14(13(18)8-12)22-9-10(2)3/h6-8,10H,5,9H2,1-4H3

2.1.3 InChI Key

LTBYCVZIMRJPCD-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CCOC(=O)C1=C(N=C(S1)C2=CC(=C(C=C2)OCC(C)C)Br)C

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 144060-96-8

2. Ethyl 2-[3-bromo-4-(2-methylpropoxy)phenyl]-4-methyl-1,3-thiazole-5-carboxylate

3. Ethyl 2-(3-bromo-4-isobutoxyphenyl)- 4-methyl-5-thiazolecarboxylate

4. Ethyl 2-(3-bromo-4-isobutoxyphenyl)-4-methylthiazole-5-carboxylate

5. Ethyl2-(3-bromo-4-isobutoxyphenyl)-4-methyl-5-thiazolecarboxylate

6. Schembl455907

7. Dtxsid20447039

8. Bcp23104

9. Zinc64034175

10. Akos015900467

11. Db-002197

12. Cs-0446647

13. Ft-0686936

14. 060e968

15. Q-103510

16. Ethyl 2-(3-bromo-4-isobutyloxyphenyl)-4-methyl-5-thiazolecarboxylate

17. 2-(3-bromo-4-isobutoxy-phenyl)-4-methylthiazole-5-carboxylic Acid Ethyl Ester

2.3 Create Date

2006-10-26

3 Chemical and Physical Properties

Molecular Formula	C₁₇H₂₀BrNO₃S
Molecular Weight	398.3 g/mol
XLogP3	5.6
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	7
Exact Mass	397.03473 g/mol
Monoisotopic Mass	397.03473 g/mol
Topological Polar Surface Area	76.7 Å²
Heavy Atom Count	23
Formal Charge	0
Complexity	396
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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CAS Number

CAS-161798-01-2

End Use API

Febuxostat

About the Company

Jinan Lead Pharmaceutical Technology Co., LTD., located in Jinan, Shandong Province, is mainly engaged in...

Jinan Lead Pharmaceutical Technology Co., LTD., located in Jinan, Shandong Province, is mainly engaged in R&D, production and sales of pharmaceutical raw materials and intermediates. The research and development center is located in Jinan high-tech zone, the production base is located in Ulanqab, Inner Mongolia. The plant has 6 production workshops, covering an area of 1,000,000㎡. At present, we have passed the supplier audit from many domestic pharmaceutical enterprises and world-class pharmaceutical enterprises. Main business: pharmaceutical API and intermediate research and development, production and sales.

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