CAS 93957-50-7

Chemistry, 1 End Use API, 1 Related Intermediates

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Also known as: 93957-50-7, 129332-30-5, 1-isopropyl-2-acrolein-3-(4-fluorophenyl)-indole, 3-(3-4-fluorophenyl-1-isopropyl-1h-indole-2-yl) propenal, (e)-3-[3-(4-fluorophenyl)-1-isopropyl-1h-indol-2-yl]-propenal, (e)-3-[3'-(4''-fluorophenyl)-1'-(1''-methylethyl)-1h-indol-2''-yl]-2-propnal

Molecular Formula

C₂₀H₁₈FNO

Molecular Weight

307.4 g/mol

InChI Key

DVWHSTKQJBIYCK-VMPITWQZSA-N

1 2D Structure

CAS 93957-50-7

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

(E)-3-[3-(4-fluorophenyl)-1-propan-2-ylindol-2-yl]prop-2-enal

2.1.2 InChI

InChI=1S/C20H18FNO/c1-14(2)22-18-7-4-3-6-17(18)20(19(22)8-5-13-23)15-9-11-16(21)12-10-15/h3-14H,1-2H3/b8-5+

2.1.3 InChI Key

DVWHSTKQJBIYCK-VMPITWQZSA-N

2.1.4 Canonical SMILES

CC(C)N1C2=CC=CC=C2C(=C1C=CC=O)C3=CC=C(C=C3)F

2.1.5 Isomeric SMILES

CC(C)N1C2=CC=CC=C2C(=C1/C=C/C=O)C3=CC=C(C=C3)F

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 93957-50-7

2. 129332-30-5

3. 1-isopropyl-2-acrolein-3-(4-fluorophenyl)-indole

4. 3-(3-4-fluorophenyl-1-isopropyl-1h-indole-2-yl) Propenal

5. (e)-3-[3-(4-fluorophenyl)-1-isopropyl-1h-indol-2-yl]-propenal

6. (e)-3-[3'-(4''-fluorophenyl)-1'-(1''-methylethyl)-1h-indol-2''-yl]-2-propnal

7. (e)-3-[3-(4-fluoro-phenyl)-1-isopropyl-1h-indol-2-yl]-propenal

8. (e)-3-[3-(4-fluorophenyl)-1-propan-2-ylindol-2-yl]prop-2-enal

9. 3-[3-(4-fluorophenyl)-1-(1-methylethyl)-1h-indol-2-yl]-(e)-2-propenal

10. (e)-3-[3-(4-fluorophenyl)-1-(isopropyl)-1h-indol-2-yl]-2-propenal

11. (2e)-3-[3-(4-fluorophenyl)-1-(1-methylethyl)-1h-indol-2-yl]-2-propenal

12. (e)-3-[3-(4-fluorophenyl)-1-(1-methylethyl)-2-indolyl]propenal

13. 2-propenal, 3-[3-(4-fluorophenyl)-1-(1-methylethyl)-1h-indol-2-yl]-, (2e)-

14. 3-(3-4-fluorophenyl-1-isopropyl-1h-indole-2-yl)propenal

15. 3-(3-(4-fluorophenyl)-1-(1-methylethyl)-1h-indol-2-yl)-(e)-2-propenal

16. 3-(3-(4-fluorophenyl)-1-isopropyl-1h-indol-2-yl)acrylaldehyde

17. Ec 425-370-4

18. Schembl5847130

19. Dtxsid301153342

20. Zinc2513950

21. Mfcd03840863

22. Akos015896063

23. Cs-w008265

24. Ac-26812

25. Ac-29005

26. As-12807

27. F0819

28. 57f507

29. 1-isopropyl-2-acrolein-3-(4-fluorophenyl)indole

30. A1-01698

31. Q-102780

32. (e)-3-[3-(4-fluorophenyl)-1-isopropylindol-2-yl]acrolein

33. (e)-3-[3-(4-fluorophenyl)-1-isopropylindol-2-yl]propenal

34. 3-[3-(4-fluorophenyl)-1-(1-methylethyl)-1h-indol-2yl]-propenal

35. (2e)-3-[3-(4-fluorophenyl)-1-(propan-2-yl)-1h-indol-2-yl]prop-2-enal

36. (e)-3-(3-(4-fluorophenyl)-1-isopropyl-1h-indol-2-yl) Acrylaldehyde

37. (e)-3-[3-(4-fluorophenyl)-1-(1-methylethyl)-1h-indol-2-yl]prop-2-enal

38. (e)-3-[3-(4-fluorophenyl)-1-(1-methylethyl)-1h-indole-2-yl] Propenal

39. (e)-3-[3'-(4''-fluorophenyl)-1'-(1''-methylethyl)-1h-indol-2''-yl]-2-propenal

40. (e)-3-[3'-(4''-fluorophenyl)-1'-(1''-methylethyl)]-1h-indol-2''-yl-2-propenal

41. (e)-3-[3'-(4''-fluorophenyl)-1'-(1''-methylethyl)indol-2'-yl]pro-2-penal

42. (e)-3-[3'-(4''-fluorophenyl)-1'-(1-methylethyl)-1h-indole-2yl] Prop-2-enal

43. (e)-3-[3-(4-fluorophenyl)-1-(1-methylethyl)-1h-indol-2-yl]-2-propenal

2.3 Create Date

2006-10-25

3 Chemical and Physical Properties

Molecular Formula	C₂₀H₁₈FNO
Molecular Weight	307.4 g/mol
XLogP3	4.4
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	4
Exact Mass	307.137242360 g/mol
Monoisotopic Mass	307.137242360 g/mol
Topological Polar Surface Area	22 Å²
Heavy Atom Count	23
Formal Charge	0
Complexity	427
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
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

129332-29-2

End Use API

Fluvastatin

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LUNA Chemicals Co.,Ltd. markets and manufactures world-class quality Active Pharmaceutical Ingredients an...

LUNA Chemicals Co.,Ltd. markets and manufactures world-class quality Active Pharmaceutical Ingredients and intermediate chemicals for generic pharmaceutical companies. Our Development Team focus strategically on the core therapeutic areas: cardiovascular, anti-depressant, allergic, healthcare and plant extraction. We provide technical support and efficient regulatory documentation for manufacturers, intellectual property(IP) was always carefully considered as well. We also provide excellent outsourcing services to customers and laboratory support.

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