CAS 131707-24-9

Chemistry, 1 End Use API, 2 Related Intermediates

Manufacturers/Suppliers

1 Suppliers

1 Suppliers

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

List of Suppliers

Full Screen View

Reset Filter

Ask Us

Hangzhou Deli Chemical

Upload your Marketing & Sales content on your company Virtual Booth, click HERE

Post an Enquiry

China

Virtual Booth

Digital Content

Umifenovir

PDF Supplier PDF

URL Supplier Web Content

CAS Number

131707-24-9

Intermediate Name

Ethyl 6-bromo-5-hyd roxy- -methyl-...

About the Company

Founded in 2005, Hangzhou Deli Chemical Co., Ltd. is a specialized manufacturing factory of APIs, pharmac...

Founded in 2005, Hangzhou Deli Chemical Co., Ltd. is a specialized manufacturing factory of APIs, pharmaceutical intermediates and other chemicals, with production bases in Huzhou, Yuhang and Jiande. Our first factory is located in Tangxi Industrial Park of Yuhang District in Hangzhou city, with over 110,000 sqm of lands. There are independent R&D team and well-trained workforces in our company. Well-known for complete production equipments, advanced production methods and a full suite of inspection facilities, we develop, design and produce independently. In collaboration with laboratories of Zhejiang University

ASK
US