Octanex Labs | CAS 330786-24-8 | End Use API | Intermediate

CAS 330786-24-8

Chemistry, 8 End Use API, 32 Related Intermediates

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Also known as: 330786-24-8, 4-amino-3-(4-phenoxyphenyl)-1h-pyrazolo[3,4-d]pyrimidine, Ibrutinib n-2, Ibrutinib deacryloylpiperidine, 3-(4-phenoxyphenyl)-2h-pyrazolo[3,4-d]pyrimidin-4-amine, Mfcd20270360

Molecular Formula

C₁₇H₁₃N₅O

Molecular Weight

303.32 g/mol

InChI Key

YYVUOZULIDAKRN-UHFFFAOYSA-N

1 2D Structure

CAS 330786-24-8

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

3-(4-phenoxyphenyl)-2H-pyrazolo[3,4-d]pyrimidin-4-amine

2.1.2 InChI

InChI=1S/C17H13N5O/c18-16-14-15(21-22-17(14)20-10-19-16)11-6-8-13(9-7-11)23-12-4-2-1-3-5-12/h1-10H,(H3,18,19,20,21,22)

2.1.3 InChI Key

YYVUOZULIDAKRN-UHFFFAOYSA-N

2.1.4 Canonical SMILES

C1=CC=C(C=C1)OC2=CC=C(C=C2)C3=C4C(=NC=NC4=NN3)N

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 330786-24-8

2. 4-amino-3-(4-phenoxyphenyl)-1h-pyrazolo[3,4-d]pyrimidine

3. Ibrutinib N-2

4. Ibrutinib Deacryloylpiperidine

5. 3-(4-phenoxyphenyl)-2h-pyrazolo[3,4-d]pyrimidin-4-amine

6. Mfcd20270360

7. 1h-pyrazolo[3,4-d]pyrimidin-4-amine, 3-(4-phenoxyphenyl)-

8. Ibrutinib Impurity 8

9. Ibt4a

10. 3-[4-phenoxyphenyl]pyrazole

11. Schembl200349

12. Chembl1242204

13. Bcp08092

14. Cs-m2418

15. Zinc64527573

16. Akos024464512

17. Akos032949962

18. Ds-7365

19. Sb74532

20. 3-(4-phenoxy-phenyl)-1(2)h-pyrazole

21. Ac-28742

22. Da-25126

23. Hy-78727

24. Sy032999

25. Ft-0696694

26. A852276

27. Z2753057767

28. 4-amino-3-(4-phenoxyphenyl)-1h-pyrazolo[3,4-d]pyrimidine; 3-(4-phenoxyphenyl)-1h-pyrazolo[3,4-d]pyrimidin-4-amine

2.3 Create Date

2007-12-05

3 Chemical and Physical Properties

Molecular Formula	C₁₇H₁₃N₅O
Molecular Weight	303.32 g/mol
XLogP3	3
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	3
Exact Mass	303.11201006 g/mol
Monoisotopic Mass	303.11201006 g/mol
Topological Polar Surface Area	89.7 Å²
Heavy Atom Count	23
Formal Charge	0
Complexity	381
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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CAS Number

330786-24-8

Intermediate Name

3-(4-phenoxyphenyl)-1H-pyrazolo[3,4...

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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