CAS 182230-43-9

Chemistry, 2 End Use API, 17 Related Intermediates

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Also known as: 182230-43-9, 2-(2,4-difluorophenyl)-3-(5-fluoropyrimidin-4-yl)-1-(1,2,4-triazol-1-yl)butan-2-ol, Voriconazole related compound a, (2rs,3rs)-alpha-(2,4-difluorophenyl)-5-fluoro-beta-methyl-alpha-(1h-1,2,4-triazol-1-ylmethyl)-4-pyrimidineethan, 188416-29-7, Schembl824156

Molecular Formula

C₁₆H₁₄F₃N₅O

Molecular Weight

349.31 g/mol

InChI Key

BCEHBSKCWLPMDN-UHFFFAOYSA-N

1 2D Structure

CAS 182230-43-9

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

2-(2,4-difluorophenyl)-3-(5-fluoropyrimidin-4-yl)-1-(1,2,4-triazol-1-yl)butan-2-ol

2.1.2 InChI

InChI=1S/C16H14F3N5O/c1-10(15-14(19)5-20-7-22-15)16(25,6-24-9-21-8-23-24)12-3-2-11(17)4-13(12)18/h2-5,7-10,25H,6H2,1H3

2.1.3 InChI Key

BCEHBSKCWLPMDN-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CC(C1=NC=NC=C1F)C(CN2C=NC=N2)(C3=C(C=C(C=C3)F)F)O

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 182230-43-9

2. 2-(2,4-difluorophenyl)-3-(5-fluoropyrimidin-4-yl)-1-(1,2,4-triazol-1-yl)butan-2-ol

3. Voriconazole Related Compound A

4. (2rs,3rs)-alpha-(2,4-difluorophenyl)-5-fluoro-beta-methyl-alpha-(1h-1,2,4-triazol-1-ylmethyl)-4-pyrimidineethan

5. 188416-29-7

6. Schembl824156

7. Chembl303329

8. Dtxsid20411790

9. 2-(2,4-difluorophenyl)-3-(5-fluoro-4-pyrimidinyl)-1-(1h-1,2,4-triazol-1-yl)-2-butanol

10. Albb-022467

11. Bcp22611

12. Mfcd00865610

13. Stl419949

14. Akos015895147

15. Ncgc00389311-01

16. (2r,3s)-2-(2,4-difluorophenyl)-3

17. A-(2,4-difluorophenyl)-5-fluoro-b-methyl-a-(1h-1,2,4-triazol-1-ylmethyl)-4-pyrimidineethanol

18. Db-042381

19. Ft-0631154

20. Ft-0658337

21. Ft-0675848

22. Ft-0675849

23. A24982

24. 230a439

25. 2-(2,4-difluorophenyl)-3-(5-fluoropyrimidin-4-yl)-1-(1h-1,2,4-triazol-1-yl)-2-butanol

26. (2r,3s/2s,3r)-2-(2,4-difluorophenyl)-3-(5-fluoro-4-pyrimidinyl)-1-(1h-1,2,4-triazol-1-yl)-2-butanol

27. 4-pyrimidineethanol, Alpha-(2,4-difluorophenyl)-5-fluoro-beta-methyl-alpha-(1h-1,2,4-triazol-1-ylmethyl)-

28. Ad(2,4-difluorophenyl)-5-fluoro-b-methyl-a-(1h-1,2,4-triazol-1-ylmethyl)-4-pyrimidineethanol

2.3 Create Date

2005-10-07

3 Chemical and Physical Properties

Molecular Formula	C₁₆H₁₄F₃N₅O
Molecular Weight	349.31 g/mol
XLogP3	1.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	5
Exact Mass	349.11504457 g/mol
Monoisotopic Mass	349.11504457 g/mol
Topological Polar Surface Area	76.7 Å²
Heavy Atom Count	25
Formal Charge	0
Complexity	448
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	2
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

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CAS Number

182230-43-9

End Use API

Voriconazole

About the Company

Beijing Lunarsun pharma is a professional manufacturer of API and intermediates. The factory is approved ...

Beijing Lunarsun pharma is a professional manufacturer of API and intermediates. The factory is approved by US FDA. According to EU and US FDA's requirement, we supply following APIs and their intermediates with good quality and competitive price: Aztreonam,Doripenem, Dronedarone Hcl ,Erlotinib HCL, Febuxostat,Gemcitabine HCL, Ivabradine, Imatinib mesylate, Mecobalamin,Moxifloxacin, Nelarabine,Pemetrexed disodium, Posaconazole, Temozolomide, Voriconazole, Tebipenem pivoxil.NOTE: Products covered by valid patents in any country are not offered or supplied to these countries for commercial purpose.

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CAS Number

182230-43-9

End Use API

Voriconazole

About the Company

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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