CAS 13423-73-9

Chemistry, 1 End Use API, 1 Related Intermediates

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Also known as: 13423-73-9, 3,5-diisopropyl-4-hydroxybenzoic acid, Propofol 4-carboxylic acid, 4-hydroxy-3,5-di(propan-2-yl)benzoic acid, 4-hydroxy-3,5-bis(1-methylethyl)benzoic acid, Benzoic acid, 4-hydroxy-3,5-bis(1-methylethyl)-

Molecular Formula

C₁₃H₁₈O₃

Molecular Weight

222.28 g/mol

InChI Key

WYAZPCLFZZTVSP-UHFFFAOYSA-N

FDA UNII

79DU6CB34N

1 2D Structure

CAS 13423-73-9

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

4-hydroxy-3,5-di(propan-2-yl)benzoic acid

2.1.2 InChI

InChI=1S/C13H18O3/c1-7(2)10-5-9(13(15)16)6-11(8(3)4)12(10)14/h5-8,14H,1-4H3,(H,15,16)

2.1.3 InChI Key

WYAZPCLFZZTVSP-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CC(C)C1=CC(=CC(=C1O)C(C)C)C(=O)O

2.2 Other Identifiers

2.2.1 UNII

79DU6CB34N

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. 13423-73-9

2. 3,5-diisopropyl-4-hydroxybenzoic Acid

3. Propofol 4-carboxylic Acid

4. 4-hydroxy-3,5-di(propan-2-yl)benzoic Acid

5. 4-hydroxy-3,5-bis(1-methylethyl)benzoic Acid

6. Benzoic Acid, 4-hydroxy-3,5-bis(1-methylethyl)-

7. 79du6cb34n

8. Mfcd00490203

9. Propofol Impurity N

10. Brn 2582789

11. Unii-79du6cb34n

12. 4-hydroxy-3,5-bis(1-methylethyl)benzoic Acid; Benzoic Acid, 4-hydroxy-3,5-diisopropyl- (6ci,8ci); 4-hydroxy-3,5-bis(1-methylethyl)benzoic Acid; 4-hydroxy-3,5-diisopropylbenzoic Acid; Propofol Imp. N (ep); Propofol Impurity N

13. Benzoic Acid, 3,5-diisopropyl-4-hydroxy-

14. Propofol Ep Impurity N

15. Schembl4319072

16. Us9676786, Example 5

17. Dtxsid30158604

18. Wyazpclfzztvsp-uhfffaoysa-n

19. Bdbm198936

20. Bcp33998

21. Stl164076

22. 4-hydroxy-3,5-diisopropylbenzoicacid

23. Akos005363655

24. 4-hydroxy-3,5-diisopropyl Benzoic Acid

25. As-75752

26. Propofol Impurity N [ep Impurity]

27. Sy083630

28. Db-252064

29. Cs-0154316

30. F53733

31. Q27266749

2.4 Create Date

2005-08-08

3 Chemical and Physical Properties

Molecular Formula	C₁₃H₁₈O₃
Molecular Weight	222.28 g/mol
XLogP3	3.3
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Exact Mass	g/mol
Monoisotopic Mass	g/mol
Topological Polar Surface Area	57.5
Heavy Atom Count	16
Formal Charge	0
Complexity	230
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

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4-Hydroxy-3,5-dilsopropyl benzoic acid

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CAS Number

CAS-13423-73-9

End Use API

Propofol

About the Company

OctaneX Labs is a leading intermediates and Active Pharmaceutical Ingredients (API) manufacturing company...

OctaneX Labs is a leading intermediates and Active Pharmaceutical Ingredients (API) manufacturing company specializing in the development of innovative processes for the synthesis of a wide range of products. We also undertake custom pharmaceutical services and contract Research Synthesis. We are commited to create better quality of life by being at the forefront of research, manufacturing and marketing of high quality API'S.As a growing organization, we are aware that we can’t achieve our goals singly. We collaborate and work in unison with a large number of reputed and like-minded partners

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