Sanpra Synthesis

CAS 86728-85-0

Chemistry, 3 End Use API, 41 Related Intermediates

Manufacturers/Suppliers

3 Suppliers

3 Suppliers

Also known as: 86728-85-0, Ethyl (s)-4-chloro-3-hydroxybutyrate, Ethyl (s)-(-)-4-chloro-3-hydroxybutyrate, Ethyl (s)-4-chloro-3-hydroxybutanoate, Ethyl (3s)-4-chloro-3-hydroxybutanoate, Ethyl (s)-(-)-4-chloro-3-hydroxybutanoate

Molecular Formula

C₆H₁₁ClO₃

Molecular Weight

166.60 g/mol

InChI Key

ZAJNMXDBJKCCAT-YFKPBYRVSA-N

1 2D Structure

CAS 86728-85-0

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

ethyl (3S)-4-chloro-3-hydroxybutanoate

2.1.2 InChI

InChI=1S/C6H11ClO3/c1-2-10-6(9)3-5(8)4-7/h5,8H,2-4H2,1H3/t5-/m0/s1

2.1.3 InChI Key

ZAJNMXDBJKCCAT-YFKPBYRVSA-N

2.1.4 Canonical SMILES

CCOC(=O)CC(CCl)O

2.1.5 Isomeric SMILES

CCOC(=O)C[C@@H](CCl)O

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 86728-85-0

2. Ethyl (s)-4-chloro-3-hydroxybutyrate

3. Ethyl (s)-(-)-4-chloro-3-hydroxybutyrate

4. Ethyl (s)-4-chloro-3-hydroxybutanoate

5. Ethyl (3s)-4-chloro-3-hydroxybutanoate

6. Ethyl (s)-(-)-4-chloro-3-hydroxybutanoate

7. (s)-4-chloro-3-hydroxybutyric Acid Ethyl Ester

8. (s)-4-chloro-3-hydroxy-n-butyric Acid Ethyl Ester

9. (s)-ethyl 4-chloro-3-hydroxybutanoate

10. Mfcd00211241

11. S-4-chloro-3-hydroxybutyrate

12. Ethyl(s)-4-chloro-3-hydroxybutyrate

13. Ethyl(s)-(-)-4-chloro-3-hydroxybutyrate

14. Schembl96394

15. (-)-ethyl (s)-4-chloro-3-hydroxybutyrate

16. Dtxsid00427096

17. Act03210

18. Zinc2558232

19. Ethyl (s)-4-chloro3-hydroxybutyrate

20. (s)-ethyl-4-chloro-3-hydroxybutyrate

21. Akos006239591

22. Akos015838752

23. Ethyl (s) 4-chloro-3-hydroxybutyrate

24. Ethyl 4-chloro-(s)-3-hydroxybutyrate

25. Ethyl(3s)-4-chloro-3-hydroxybutyrate

26. (s)-ethyl 4-chloro-3-hydroxybutyrate

27. Am81438

28. Cs-w017853

29. Ethyl-(-)-4-chloro-3-hydroxybutyrate

30. Ethyl (3s)-4-chloro-3-hydroxybutyrate

31. As-14912

32. Db-029762

33. C1717

34. Ethyl (s)-(+)-4-chloro-3-hydroxybutyrate

35. (s)-4-chloro-3- Hydroxybutanoic Acid Ethyl Ester

36. 728e850

37. Ethyl (s)-(-)-4-chloro-3-hydroxybutyrate, 96%

38. J-524234

39. Ethyl S-4-chloro-3-hydroxybutyrate;ethyl (s)-(-)-4-chloro-3-hydroxybutyrate

2.3 Create Date

2006-07-29

3 Chemical and Physical Properties

Molecular Formula	C₆H₁₁ClO₃
Molecular Weight	166.60 g/mol
XLogP3	0.4
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	5
Exact Mass	166.0396719 g/mol
Monoisotopic Mass	166.0396719 g/mol
Topological Polar Surface Area	46.5 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	105
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
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

4039-32-1

End Use API

Atorvastatin

About the Company

Sanpra Synthesis strongly believes that with its expertise and innovative pharmaceutical business backgro...

Sanpra Synthesis strongly believes that with its expertise and innovative pharmaceutical business background, it is aptly positioned for APIs and intermediates manufacturing and outsourcing for the global market. We also undertake custom synthesis and contract manufacturing. Setting up multiple c GMP-manufacturing facility and world-class R&D center located in Vizag APSEZ De-notified area with well connected to road, rail, and air enabling cargo movement to the nearest transport facility in commercial production from January 2020.

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