Shenzhen Hwagen Pharmaceutical

CAS 452339-73-0

Chemistry, 3 End Use API, 7 Related Intermediates

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Also known as: 452339-73-0, (r)-5-(2,2-dimethyl-4h-benzo[d][1,3]dioxin-6-yl)oxazolidin-2-one, 2-oxazolidinone, 5-(2,2-dimethyl-4h-1,3-benzodioxin-6-yl)-, (5r)-, (5r)-2-oxazolidinone, 5-(2,2-dimethyl-4h-1,3-benzodioxin-6-yl), Schembl925446, Dtxsid601164190

Molecular Formula

C₁₃H₁₅NO₄

Molecular Weight

249.26 g/mol

InChI Key

JUEBDVANOFZMMX-NSHDSACASA-N

1 2D Structure

CAS 452339-73-0

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

(5R)-5-(2,2-dimethyl-4H-1,3-benzodioxin-6-yl)-1,3-oxazolidin-2-one

2.1.2 InChI

InChI=1S/C13H15NO4/c1-13(2)16-7-9-5-8(3-4-10(9)18-13)11-6-14-12(15)17-11/h3-5,11H,6-7H2,1-2H3,(H,14,15)/t11-/m0/s1

2.1.3 InChI Key

JUEBDVANOFZMMX-NSHDSACASA-N

2.1.4 Canonical SMILES

CC1(OCC2=C(O1)C=CC(=C2)C3CNC(=O)O3)C

2.1.5 Isomeric SMILES

CC1(OCC2=C(O1)C=CC(=C2)[C@@H]3CNC(=O)O3)C

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 452339-73-0

2. (r)-5-(2,2-dimethyl-4h-benzo[d][1,3]dioxin-6-yl)oxazolidin-2-one

3. 2-oxazolidinone, 5-(2,2-dimethyl-4h-1,3-benzodioxin-6-yl)-, (5r)-

4. (5r)-2-oxazolidinone, 5-(2,2-dimethyl-4h-1,3-benzodioxin-6-yl)

5. Schembl925446

6. Dtxsid601164190

7. Amy30026

8. Bcp24279

9. Cs-m2588

10. Cta33973

11. (5r)-5-(2,2-dimethyl-4h-1,3-benzodioxin-6-yl)-2-oxazolidinone

12. Mfcd21362968

13. Zinc34571268

14. Ac-30866

15. Ds-12375

16. F11523

17. A852183

18. (5r)-5-(2.2-dimethyl-4h-1.3-benzodioxin-6-yl)-1.3-oxazolidin-2-one

19. (r)-5-(2,2-dimethyl-4h-1,3-benzodioxin-6-yl)-1,3-oxazolidin-2-one

20. (5r)-5-(2,2-dimethyl-2,4-dihydro-1,3-benzodioxin-6-yl)-1,3-oxazolidin-2-one

2.3 Create Date

2006-10-26

3 Chemical and Physical Properties

Molecular Formula	C₁₃H₁₅NO₄
Molecular Weight	249.26 g/mol
XLogP3	1.4
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	1
Exact Mass	249.10010796 g/mol
Monoisotopic Mass	249.10010796 g/mol
Topological Polar Surface Area	56.8 Å²
Heavy Atom Count	18
Formal Charge	0
Complexity	344
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

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2-[2-(6-Bromohexyloxy)ethoxymethyl]-1,3-dichlorobenzene

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CAS Number

503070-57-3

End Use API

Vilanterol Trifenatate

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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