Shenzhen Hwagen Pharmaceutical

CAS 18048-64-1

Chemistry, 3 End Use API, 14 Related Intermediates

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Also known as: 18048-64-1, 1-(3,4-dimethylphenyl)-3-methyl-3-pyrazolin-5-one, 2-(3,4-dimethylphenyl)-5-methyl-4h-pyrazol-3-one, 3-methyl-1-(3,4-dimethylphenyl)-2-pyrazolin-5-one, 3h-pyrazol-3-one, 2-(3,4-dimethylphenyl)-2,4-dihydro-5-methyl-, Schembl4663211

Molecular Formula

C₁₂H₁₄N₂O

Molecular Weight

202.25 g/mol

InChI Key

GJBBAPXESBCGRU-UHFFFAOYSA-N

1 2D Structure

CAS 18048-64-1

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

2-(3,4-dimethylphenyl)-5-methyl-4H-pyrazol-3-one

2.1.2 InChI

InChI=1S/C12H14N2O/c1-8-4-5-11(6-9(8)2)14-12(15)7-10(3)13-14/h4-6H,7H2,1-3H3

2.1.3 InChI Key

GJBBAPXESBCGRU-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CC1=NN(C(=O)C1)C2=CC(=C(C=C2)C)C

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 18048-64-1

2. 1-(3,4-dimethylphenyl)-3-methyl-3-pyrazolin-5-one

3. 2-(3,4-dimethylphenyl)-5-methyl-4h-pyrazol-3-one

4. 3-methyl-1-(3,4-dimethylphenyl)-2-pyrazolin-5-one

5. 3h-pyrazol-3-one, 2-(3,4-dimethylphenyl)-2,4-dihydro-5-methyl-

6. Schembl4663211

7. Dtxsid40395407

8. 2-(3,4-dimethylphenyl)-5-methyl-2,4-dihydro-3h-pyrazol-3-one

9. Amy22080

10. Bcp13325

11. Cs-b0773

12. Mfcd00638319

13. Akos000289052

14. Zinc100069082

15. Ac-25855

16. Da-28516

17. A4000

18. Ft-0688738

19. F11572

20. 2-pyrazolin-5-one,3-methyl-1-(3,4-xylyl)-

21. Sr-01000511301

22. Sr-01000511301-1

23. 1-(3,4-dimethylphenyl)-3-methyl-1h-pyrazole-5(4h)-one

24. 3h-pyrazol-3-one,2-(3,4-dimethyl Phenyl)-2,4-dihydro-5-methyl-

2.3 Create Date

2005-09-10

3 Chemical and Physical Properties

Molecular Formula	C₁₂H₁₄N₂O
Molecular Weight	202.25 g/mol
XLogP3	2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	202.110613074 g/mol
Monoisotopic Mass	202.110613074 g/mol
Topological Polar Surface Area	32.7 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	298
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

18048-64-1

End Use API

Eltrombopag

About the Company

Shenzhen HwaGen Pharmaceutical Co., Ltd. (HwaGen Pharma) was founded in December of 2015 under the leader...

Shenzhen HwaGen Pharmaceutical Co., Ltd. (HwaGen Pharma) was founded in December of 2015 under the leadership of a “National 1000 Talents Program” expert. By leveraging its core competency in chiral synthesis, enzymatic catalysis and continuous flow micro reactor, HwaGen Pharmaceutical is dedicated to development and manufacturing of specialty and niche intermediates and APIs covering various therapeutic areas including oncology, antiviral and respiratory, delivering high value-added and affordable products for global pharmaceutical industry. Equipments for Analysis & Test include Tabletop NMR, LC-MS, GC, HPLC etc.

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