CAS 141627-42-1

Chemistry, 2 End Use API, 18 Related Intermediates

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Also known as: 141627-42-1, 2-butyl-3-(4-methoxybenzoyl)-5-nitrobenzofuran, Methanone, (2-butyl-5-nitro-3-benzofuranyl)(4-methoxyphenyl)-, (2-butyl-5-nitro-1-benzofuran-3-yl)-(4-methoxyphenyl)methanone, Schembl283212, Schembl422204

Molecular Formula

C₂₀H₁₉NO₅

Molecular Weight

353.4 g/mol

InChI Key

WYALRXZJYXWYGR-UHFFFAOYSA-N

1 2D Structure

CAS 141627-42-1

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

(2-butyl-5-nitro-1-benzofuran-3-yl)-(4-methoxyphenyl)methanone

2.1.2 InChI

InChI=1S/C20H19NO5/c1-3-4-5-18-19(20(22)13-6-9-15(25-2)10-7-13)16-12-14(21(23)24)8-11-17(16)26-18/h6-12H,3-5H2,1-2H3

2.1.3 InChI Key

WYALRXZJYXWYGR-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CCCCC1=C(C2=C(O1)C=CC(=C2)[N+](=O)[O-])C(=O)C3=CC=C(C=C3)OC

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 141627-42-1

2. 2-butyl-3-(4-methoxybenzoyl)-5-nitrobenzofuran

3. Methanone, (2-butyl-5-nitro-3-benzofuranyl)(4-methoxyphenyl)-

4. (2-butyl-5-nitro-1-benzofuran-3-yl)-(4-methoxyphenyl)methanone

5. Schembl283212

6. Schembl422204

7. Dtxsid90626718

8. Act08508

9. Amy40871

10. Bcp14016

11. Cs-m0181

12. Cl4580

13. Mfcd14525623

14. Zinc44857472

15. Akos015901847

16. Ac-25776

17. Ds-17943

18. Db-063389

19. Ft-0686414

20. 2-n-butyl-3-(4-methoxybenzoyl)-5-nitrobenzofuran

21. 627b421

22. 2-(n-butyl)-3-(4-methoxybenzoyl)-5-nitrobenzofuran

23. 2-n-butyl 3-(4-methoxy Benzoyl) 5-nitro Benzofuran

24. 2-n-butyl-3-(4-methoxy-benzoyl)-5-nitro-benzofuran

25. 2-butyl-5-nitrobenzofuran-3-yl(4-methoxyphenyl)methanone

26. (2-butyl-5-nitro-1-benzofuran-3-yl)(4-methoxyphenyl)methanone

27. (2-butyl-5-nitro-benzofuran-3-yl)-(4-methoxy-phenyl)-methanone

2.3 Create Date

2007-12-05

3 Chemical and Physical Properties

Molecular Formula	C₂₀H₁₉NO₅
Molecular Weight	353.4 g/mol
XLogP3	5.2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	6
Exact Mass	353.12632271 g/mol
Monoisotopic Mass	353.12632271 g/mol
Topological Polar Surface Area	85.3 Å²
Heavy Atom Count	26
Formal Charge	0
Complexity	497
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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Allchem Laboratories

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Dronedarone Hydrochloride

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CAS Number

141627-42-1

Intermediate Name

(2-Butyl-5-nitrobenzofuran-3-yl)(4-...

About the Company

Established in 2003 with small pilot plant and came in to commercial production in 2013 in the name of Al...

Established in 2003 with small pilot plant and came in to commercial production in 2013 in the name of Allchem Laboratories, it is an independent privately owned company.Name changed from Allchem Laboratories to Allchem Lifescience Pvt. Ltd in April-2017.We are Allchem Lifescience Pvt Ltd., a fully cGMP compliant pharmaceutical intermediates plant located in the outskirts of Vadodara, Gujarat, India. (Location :400 km north of Mumbai at Vadodara, Gujarat, INDIA).

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Dronedarone Hydrochloride

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CAS Number

CAS-141627-42-1

Intermediate Name

(2-Butyl-5-nitrobenzofuran-3-yl)(4-...

About the Company

Jinan Lead Pharmaceutical Technology Co., LTD., located in Jinan, Shandong Province, is mainly engaged in...

Jinan Lead Pharmaceutical Technology Co., LTD., located in Jinan, Shandong Province, is mainly engaged in R&D, production and sales of pharmaceutical raw materials and intermediates. The research and development center is located in Jinan high-tech zone, the production base is located in Ulanqab, Inner Mongolia. The plant has 6 production workshops, covering an area of 1,000,000㎡. At present, we have passed the supplier audit from many domestic pharmaceutical enterprises and world-class pharmaceutical enterprises. Main business: pharmaceutical API and intermediate research and development, production and sales.

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