Nanjing Joyin Pharmachem Co Ltd | CAS 287930-77-2 | End Use API | Intermediate

CAS 287930-77-2

Chemistry, 9 End Use API, 38 Related Intermediates

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Also known as: 142569-70-8, 287930-77-2, (s)-1-(3-(2-(7-chloroquinolin-2-yl)vinyl)phenyl)-3-(2-(2-hydroxypropan-2-yl)phenyl)propan-1-ol, Montelukast alcohol, Ca9lm1i3ym, 2-[3-(s)-[3-(2-(7-chloro-2-quinolinyl)ethenyl)phenyl]-3-hydroxypropyl]phenyl-2-propanol

Molecular Formula

C₂₉H₂₈ClNO₂

Molecular Weight

458.0 g/mol

InChI Key

ZSHIDKYITZZTLA-FCPABOFRSA-N

FDA UNII

CA9LM1I3YM

1 2D Structure

CAS 287930-77-2

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

(1S)-1-[3-[(E)-2-(7-chloroquinolin-2-yl)ethenyl]phenyl]-3-[2-(2-hydroxypropan-2-yl)phenyl]propan-1-ol

2.1.2 InChI

InChI=1S/C29H28ClNO2/c1-29(2,33)26-9-4-3-7-21(26)13-17-28(32)23-8-5-6-20(18-23)10-15-25-16-12-22-11-14-24(30)19-27(22)31-25/h3-12,14-16,18-19,28,32-33H,13,17H2,1-2H3/b15-10+/t28-/m0/s1

2.1.3 InChI Key

ZSHIDKYITZZTLA-FCPABOFRSA-N

2.1.4 Canonical SMILES

CC(C)(C1=CC=CC=C1CCC(C2=CC=CC(=C2)C=CC3=NC4=C(C=CC(=C4)Cl)C=C3)O)O

2.1.5 Isomeric SMILES

CC(C)(C1=CC=CC=C1CC[C@@H](C2=CC=CC(=C2)/C=C/C3=NC4=C(C=CC(=C4)Cl)C=C3)O)O

2.2 Other Identifiers

2.2.1 UNII

CA9LM1I3YM

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. 142569-70-8

2. 287930-77-2

3. (s)-1-(3-(2-(7-chloroquinolin-2-yl)vinyl)phenyl)-3-(2-(2-hydroxypropan-2-yl)phenyl)propan-1-ol

4. Montelukast Alcohol

5. Ca9lm1i3ym

6. 2-[3-(s)-[3-(2-(7-chloro-2-quinolinyl)ethenyl)phenyl]-3-hydroxypropyl]phenyl-2-propanol

7. Montelukast (3s)-hydroxy Propanol

8. (1s)-1-[3-[(e)-2-(7-chloroquinolin-2-yl)ethenyl]phenyl]-3-[2-(2-hydroxypropan-2-yl)phenyl]propan-1-ol

9. (s,e)-1-(3-(2-(7-chloroquinolin-2-yl)vinyl)phenyl)-3-(2-(2-hydroxypropan-2-yl)phenyl)propan-1-ol

10. (1s)-1-[3-[(e)-2-(7-chloro-2-quinolyl)vinyl]phenyl]-3-[2-(1-hydroxy-1-methyl-ethyl)phenyl]propan-1-ol

11. 2-(2-(3(s)-(3-(7-chloro-2-quinolinyl)ethenyl)phenyl)-3-hydroxypropyl)phenyl-2-propanol

12. (s)-1-(3-((e)-2-(7-chloro-2-quinolinyl)ethenyl)phenyl)-3-(2-(1-hydroxy-1-methylethyl)phenyl)-1-propanol

13. (1s)-1-[3-[(e)-2-(7-chloro-2-quinolyl)ethenyl]phenyl]-3-[2-(1-hydroxy-1-methylethyl)phenyl]propan-1-ol

14. (1s)-1-{3-[(e)-2-(7-chloroquinolin-2-yl)ethenyl]phenyl}-3-[2-(2-hydroxypropan-2-yl)phenyl]propan-1-ol

15. (alphas)-alpha-(3-((1e)-2-(7-chloro-2-quinolinyl)ethenyl)phenyl)-2-(1-hydroxy-1-methylethyl)benzenepropanol

16. (alphas)-alpha-[3-[(1e)-2-(7-chloro-2-quinolinyl)ethenyl]phenyl]-2-(1-hydroxy-1-methylethyl)benzenepropanol

17. (s)-1-[3-[(e)-2-(7-chloro-2-quinolinyl)ethenyl]phenyl]-3-[2-(1-hydroxy-1-methylethyl)phenyl]-1-propanol

18. Benzenepropanol, Alpha-(3-((1e)-2-(7-chloro-2-quinolinyl)ethenyl)phenyl)-2-(1-hydroxy-1-methylethyl)-, (alphas)-

19. Benzenepropanol, Alpha-[3-[(1e)-2-(7-chloro-2-quinolinyl)ethenyl]phenyl]-2-(1-hydroxy-1-methylethyl)-, (alphas)-

20. Unii-ca9lm1i3ym

21. Schembl201920

22. Schembl201921

23. Montelukast Sodium Intermediate Mk5

24. Mfcd09038584

25. Zinc21297983

26. Akos015896143

27. Cs-w009644

28. Ds-1367

29. Benzenepropanol,a-[3-[2-(7-chloro-2-quinolinyl)ethenyl]phenyl]-2-(1-hydroxy-1-methylethyl)-, (s)-

30. D70533

31. 569c708

32. J-505415

33. J-507648

34. (.alpha.s)-.alpha.-(3-((1e)-2-(7-chloro-2-quinolinyl)ethenyl)phenyl)-2-(1-hydroxy-1-methylethyl)benzenepropanol

35. (1s)-1-[3-[(e)-2-(7-chloro-(s)-1-(3-(2-(7-chloroquinolin-2-yl)vinyl)phenyl)-3-(2-(2-hydroxypropan-2-yl)phenyl)propan-1-ol

36. (alphas)-alpha-[2-(1-hydroxy-1-methylethyl)phenethyl]-3-[2-(7-chloro-2-quinolinyl)vinyl]benzenemethanol

37. (s)-1-[3-[2-(7-chloro-2-quinolyl)vinyl]phenyl]-3-[2-(2-hydroxy-2-propyl)phenyl]-1-propanol

38. (s)-alpha-[3-[2-(7-chloro-2-quinolinyl)ethenyl]phenyl]-2-(1-hydroxy-1-methylethyl)benzenepropanol

39. 2-(2-(3(s)-(3-(2-(7-chloro-2-quinolinyl)-ethenyl)phenyl)-3-hydroxypropyl)phenyl)-2-propanol

40. 2-(2-(3(s)-(3-(2-(7-chloro-2-quinolinyl)ethenyl)phenyl)- 3-hydroxypropyl)phenyl)-2-propanol

41. Benzenepropanol, .alpha.-(3-((1e)-2-(7-chloro-2-quinolinyl)ethenyl)phenyl)-2-(1-hydroxy-1-methylethyl)-, (.alpha.s)-

42. Benzenepropanol,

43. A-[3-[2-(7-chloro-2-quinolinyl)ethenyl]phenyl]-2-(1-hydroxy-1-methylethyl)-, (

44. As)-

2.4 Create Date

2006-10-26

3 Chemical and Physical Properties

Molecular Formula	C₂₉H₂₈ClNO₂
Molecular Weight	458.0 g/mol
XLogP3	6.3
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	7
Exact Mass	457.1808568 g/mol
Monoisotopic Mass	457.1808568 g/mol
Topological Polar Surface Area	53.4 Å²
Heavy Atom Count	33
Formal Charge	0
Complexity	637
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

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CAS Number

142569-70-8

Intermediate Name

2-[3(S)-[3-[2-(7-chloroquinoline-2-...

About the Company

We specialize in the supply of API and API related intermediates and services. A significant part of our ...

We specialize in the supply of API and API related intermediates and services. A significant part of our business comes from the process/production development tailored to our customers' requirement.We see our core-value in our top-of-the-rank R&D capabilities, strict quality system, fast communication with accuracy and 15years of continued dedication to pharmaceutical and chemical industries.We take pride in the long term partnership with our reputed customers, and feel truly fortunate to work with mutual and respect. We constantly strive to keep up with their ever increasing expectation, to ensure we are worthy of their trust and reliance.

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