CAS 131707-24-9

Chemistry, 1 End Use API, 2 Related Intermediates

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Also known as: 131707-24-9, Ethyl 6-bromo-5-hydroxy-1-methyl-2-((phenylthio)methyl)-1h-indole-3-carboxylate, Si 5 (pharmaceutical), Ethyl 6-bromo-5-hydroxy-1-methyl-2-[(phenylsulfanyl)methyl]-1h-indole-3-carboxylate, 6-bromo-5-hydroxy-1-methyl-2-[(phenylthio)methyl]-1h-indole-3-carboxylic acid ethyl ester, 1h-indole-3-carboxylic acid, 6-bromo-5-hydroxy-1-methyl-2-[(phenylthio)methyl]-, ethyl ester

Molecular Formula

C₁₉H₁₈BrNO₃S

Molecular Weight

420.3 g/mol

InChI Key

DAFNNZWQTJQQAP-UHFFFAOYSA-N

1 2D Structure

CAS 131707-24-9

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

ethyl 6-bromo-5-hydroxy-1-methyl-2-(phenylsulfanylmethyl)indole-3-carboxylate

2.1.2 InChI

InChI=1S/C19H18BrNO3S/c1-3-24-19(23)18-13-9-17(22)14(20)10-15(13)21(2)16(18)11-25-12-7-5-4-6-8-12/h4-10,22H,3,11H2,1-2H3

2.1.3 InChI Key

DAFNNZWQTJQQAP-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CCOC(=O)C1=C(N(C2=CC(=C(C=C21)O)Br)C)CSC3=CC=CC=C3

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 131707-24-9

2. Ethyl 6-bromo-5-hydroxy-1-methyl-2-((phenylthio)methyl)-1h-indole-3-carboxylate

3. Si 5 (pharmaceutical)

4. Ethyl 6-bromo-5-hydroxy-1-methyl-2-[(phenylsulfanyl)methyl]-1h-indole-3-carboxylate

5. 6-bromo-5-hydroxy-1-methyl-2-[(phenylthio)methyl]-1h-indole-3-carboxylic Acid Ethyl Ester

6. 1h-indole-3-carboxylic Acid, 6-bromo-5-hydroxy-1-methyl-2-[(phenylthio)methyl]-, Ethyl Ester

7. Si 5

8. Si-5

9. Ethyl 6-bromo-5-hydroxy-1-methyl-2-[(phenylthio)methyl]-1h-indole-3-carboxylate

10. 1h-indole-3-carboxylic Acid, 6-bromo-5-hydroxy-1-methyl-2-((phenylthio)methyl)-, Ethyl Ester

11. Chemdiv1_011302

12. Oprea1_682742

13. Schembl4445035

14. Chembl4102199

15. Niosh/nl5998090

16. Hms619b16

17. Dtxsid20157186

18. Act06260

19. Bcp10623

20. Zinc1062448

21. 1-methyl-2-phenylthiomethyl-3-ethoxycarbonyl-5-hydroxy-6-bromoindole

22. Mfcd00378136

23. Stk024842

24. Akos001740372

25. Ethyl 6-bromo-5-hydroxy-1-methyl-2-(phenylthiomethyl)indole-3-carboxylate

26. As-11470

27. Cs-0151811

28. Ft-0682976

29. Nl59980900

30. D78049

31. 707e249

32. A888383

33. Sr-01000523199

34. Sr-01000523199-1

35. W-201056

36. 6-bromo-3-ethoxycarbonyl-5-hydroxy-1-methyl-2-phenylthiomethylindole

37. Ethyl 6-bromo-5-hydroxy-1-methyl-2-phenylthiomethylindole-3-carboxylate

38. 6-bromo-5-hydroxy-1-methyl-2-(phenylthiomethyl)indole-3-carboxylic Acid Ethyl Ester

39. Indole-3-carboxylic Acid, 6-bromo-5-hydroxy-1-methyl-2-(phenylthiomethyl)-, Ethyl Ester

2.3 Create Date

2005-07-10

3 Chemical and Physical Properties

Molecular Formula	C₁₉H₁₈BrNO₃S
Molecular Weight	420.3 g/mol
XLogP3	4.6
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	6
Exact Mass	419.01908 g/mol
Monoisotopic Mass	419.01908 g/mol
Topological Polar Surface Area	76.8 Å²
Heavy Atom Count	25
Formal Charge	0
Complexity	460
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

15574-49-9

End Use API

Umifenovir

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Established in 2016, a state-of-the-art R&D facility engaged in the development of Novel processes for Bu...

Established in 2016, a state-of-the-art R&D facility engaged in the development of Novel processes for Bulk Actives including Deuterated Actives, Advanced Intermediates and up the value chain. With experience, Anvitha Life Care Private Limited has knowledge and expertise as a leader in chemical research. Every decision is inspired by our main mission, which is to provide the highest standard of product and services to our clients. In this rapidly changing industry, we’ve realized the importance of continually updating our approach to stay relevant in the market, and are committed to just that.

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CAS Number

110543-98-1

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Umifenovir

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Established in 1999, Hankang Pharmaceutical Group stands as a prominent CRO-CDMO integrated service enter...

Established in 1999, Hankang Pharmaceutical Group stands as a prominent CRO-CDMO integrated service enterprise in China. Focused on generic drugs while venturing into innovative ones, the group is dedicated to offering comprehensive solutions to the industry. Presently, Hankang has crafted over 200 varieties for 600+ domestic and international companies, serving 10+ innovative drugs. It has successfully developed more than 10 initial generic drugs, with over 20 varieties endorsed by the top three domestic companies and 30 exceeding a 100 million output value.

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