CAS 498-02-2 manufacturers and suppliers on PharmaCompass

CAS 498-02-2

DRL offers a portfolio of products & services, including APIs, CMO services, generics, biosimilars & differentiated formulations.

Virtual Booth

Contact Supplier

Valsynthese, part of the SSE Group, is a CDMO focused on highly energetic and highly hazardous chemistry.

CHEMISTRY

Discover Molecule Insights

BUILDING BLOCK

2 Suppliers, 2 End Use APIs, 5 Related Intermediates

2 Suppliers
2 End Use APIs
5 Related Intermediates

Chemistry

Click the arrow to open the dropdown

Click the button for full data set

Also known as: Apocynin, 498-02-2, 4'-hydroxy-3'-methoxyacetophenone, 1-(4-hydroxy-3-methoxyphenyl)ethanone, Acetoguaiacone, Apocynine

Molecular Formula

C₉H₁₀O₃

Molecular Weight

166.17 g/mol

InChI Key

DFYRUELUNQRZTB-UHFFFAOYSA-N

FDA UNII

B6J7B9UDTR

Acetovanillone is a metabolite found in or produced by Saccharomyces cerevisiae.

1 2D Structure

CAS 498-02-2

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

1-(4-hydroxy-3-methoxyphenyl)ethanone

2.1.2 InChI

InChI=1S/C9H10O3/c1-6(10)7-3-4-8(11)9(5-7)12-2/h3-5,11H,1-2H3

2.1.3 InChI Key

DFYRUELUNQRZTB-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CC(=O)C1=CC(=C(C=C1)O)OC

2.2 Other Identifiers

2.2.1 UNII

B6J7B9UDTR

2.3 Synonyms

2.3.1 MeSH Synonyms

1. 4'-hydroxy-3'-methoxyacetophenone

2. 4-hydroxy-3-methoxyacetophenone

3. Apocynin

4. Apocynine

2.3.2 Depositor-Supplied Synonyms

1. Apocynin

2. 498-02-2

3. 4'-hydroxy-3'-methoxyacetophenone

4. 1-(4-hydroxy-3-methoxyphenyl)ethanone

5. Acetoguaiacone

6. Apocynine

7. Acetoguaiacon

8. 4-acetyl-2-methoxyphenol

9. Acetovanilone

10. Acetovanyllon

11. 4-hydroxy-3-methoxyacetophenone

12. Ethanone, 1-(4-hydroxy-3-methoxyphenyl)-

13. 3-methoxy-4-hydroxyacetophenone

14. 1-(4-hydroxy-3-methoxyphenyl)ethan-1-one

15. 4-hydroxy-3-methoxyphenyl Methyl Ketone

16. Acetophenone, 4'-hydroxy-3'-methoxy-

17. Nsc 209524

18. 3-metoksy-4-hydroksyacetofenon

19. 2-methoxy-4-acetylphenol

20. Acetovanillon

21. B6j7b9udtr

22. Nsc-209524

23. Chebi:2781

24. 1-(4-hydroxy-3-methoxy-phenyl)-ethanone

25. Wln: 1vr Dq Co1

26. Einecs 207-854-5

27. Brn 0637373

28. Ccris 7285

29. Unii-b6j7b9udtr

30. 3-metoksy-4-hydroksyacetofenon [polish]

31. Ai3-15892

32. 4-acetylguaiacol

33. 1-(4-hydroxy-3-methoxy-phenyl)ethanone

34. Apocynin [mi]

35. Apocynin (acetovanillone)

36. Bmse000584

37. Bmse010031

38. Phenol, 4-acetyl-2-methoxy

39. 4-08-00-01814 (beilstein Handbook Reference)

40. Mls001304972

41. Schembl109514

42. 4-hydroxy3-methoxyacetophenone

43. 4hydroxy-3-methoxyacetophenone

44. Acetovanillone, >=98%, Fg

45. Chembl346919

46. Dtxsid7060097

47. 4-hydroxy -3-methoxyacetophenone

48. Nsc2146

49. Acetovanillone, Analytical Standard

50. Hms3651h03

51. Zinc162515

52. 3'-methoxy-4'-hydroxyacetophenone

53. Hy-n0088

54. Nsc 2146

55. Nsc-2146

56. Str03975

57. 3-methyl Methcathinone Hydrochloride

58. Bbl009710

59. Mfcd00008747

60. Nsc209524

61. S2425

62. Stl141075

63. Zinc00162515

64. Akos000120562

65. 4-hydroxy-3-methoxyphenyl Methyl Keton

66. Ccg-266327

67. Cs-5647

68. Db12618

69. Fs-3673

70. 1-(4-hydroxy-3-methoxyphenyl)-ethanone

71. Ncgc00247065-01

72. 4'-hydroxy-3'-methoxyacetophenone, 98%

73. Ac-29981

74. Smr000752909

75. 1-(4-hydroxy-3-methoxyphenyl)-1-ethanone

76. Am20090774

77. Ft-0618638

78. H0261

79. Sw219526-1

80. D70564

81. Aa-504/20839006

82. Q414754

83. Q-200477

84. Acetophenone,4-hydroxy,3-methoxy Acetovanillon

85. F2191-0004

86. 16522-48-8

87. I75

2.4 Create Date

2004-09-16

3 Chemical and Physical Properties

Molecular Formula	C₉H₁₀O₃
Molecular Weight	166.17 g/mol
XLogP3	0.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	166.062994177 g/mol
Monoisotopic Mass	166.062994177 g/mol
Topological Polar Surface Area	46.5 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	167
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

4 Pharmacology and Biochemistry

4.1 MeSH Pharmacological Classification

Antioxidants

Naturally occurring or synthetic substances that inhibit or retard oxidation reactions. They counteract the damaging effects of oxidation in animal tissues. (See all compounds classified as Antioxidants.)

Enzyme Inhibitors

Compounds or agents that combine with an enzyme in such a manner as to prevent the normal substrate-enzyme combination and the catalytic reaction. (See all compounds classified as Enzyme Inhibitors.)

Anti-Inflammatory Agents, Non-Steroidal

Anti-inflammatory agents that are non-steroidal in nature. In addition to anti-inflammatory actions, they have analgesic, antipyretic, and platelet-inhibitory actions. They act by blocking the synthesis of prostaglandins by inhibiting cyclooxygenase, which converts arachidonic acid to cyclic endoperoxides, precursors of prostaglandins. Inhibition of prostaglandin synthesis accounts for their analgesic, antipyretic, and platelet-inhibitory actions; other mechanisms may contribute to their anti-inflammatory effects. (See all compounds classified as Anti-Inflammatory Agents, Non-Steroidal.)

BUILDING BLOCK

Upload your portfolio for free, ask us