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CAS 154477-54-0
Also known as: 154477-54-0, Methyl 2-[4-(4-chlorobutanoyl)phenyl]-2-methylpropanoate, Methyl 4-(4-chloro-1-oxobutyl)-alfa,alfa-dimethylbenzene acetate, 2-[4-(4-chloro-butyryl)-phenyl]-2-methyl-propionic acid methyl ester, 4-(4-chloro-1-oxobutyl)-alpha,alpha-dimethylbenzeneacetic acid methyl ester, Schembl1502354
Molecular Formula
C15H19ClO3
Molecular Weight
282.76  g/mol
InChI Key
ULWORPZJUIFPIC-UHFFFAOYSA-N

1 2D Structure

CAS 154477-54-0

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
methyl 2-[4-(4-chlorobutanoyl)phenyl]-2-methylpropanoate
2.1.2 InChI
InChI=1S/C15H19ClO3/c1-15(2,14(18)19-3)12-8-6-11(7-9-12)13(17)5-4-10-16/h6-9H,4-5,10H2,1-3H3
2.1.3 InChI Key
ULWORPZJUIFPIC-UHFFFAOYSA-N
2.1.4 Canonical SMILES
CC(C)(C1=CC=C(C=C1)C(=O)CCCCl)C(=O)OC
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 154477-54-0

2. Methyl 2-[4-(4-chlorobutanoyl)phenyl]-2-methylpropanoate

3. Methyl 4-(4-chloro-1-oxobutyl)-alfa,alfa-dimethylbenzene Acetate

4. 2-[4-(4-chloro-butyryl)-phenyl]-2-methyl-propionic Acid Methyl Ester

5. 4-(4-chloro-1-oxobutyl)-alpha,alpha-dimethylbenzeneacetic Acid Methyl Ester

6. Schembl1502354

7. Dtxsid20435032

8. Mfcd09031254

9. Zinc21991760

10. Akos015890024

11. Ac-8097

12. Sb33870

13. As-15325

14. Am20030050

15. Cs-0337080

16. Ft-0655725

17. H11605

18. 477m540

19. A1-15836

20. Methyl2-(4-(4-chlorobutanoyl)phenyl)-2-methylpropanoate

21. Methyl 2-(4-(4-chlorobutanoyl)-phenyl)-2-methylpropanoate

22. Methyl-2-[4-(4-chloro-butyryl-)phenyl]-2-methyl-propanoate

23. 2-4-(4-chloro-butyryl)-phenyl-2-methyl-propionic Acid Methyl Ester

24. 4-(4-chloro-1-oxobutyl)-,-dimethylbenzeneacetic Acid Methyl Ester

25. Methyl 4-(4-chloro-1-oxobutyl)-alpha,alpha-dimethylphenylacetate

26. 2-[4-(4-chloro-butyryl)-phenyl]-2-methyl-propionic Acid, Methyl Ester

27. 2-[4-(4-chlorobutyryl)-phenyl]-2-methyl-propionic Acid Methyl Ester

28. 4-(4-chloro-1-oxobutyl)-?,?-dimethylbenzeneacetic Acid Methyl Ester

29. 4-(4-chloro-1-oxobutyl)- Alpha , Alpha -dimethylbenzeneacetic Acid Methyl Ester

30. Benzeneacetic Acid, 4-(4-chloro-1-oxobutyl)-alpha,alpha-dimethyl-, Methyl Ester

31. Methyl 2-(4-[4-(4-benzhydryloxy-piperidin-1-yl)-butyryl]-phenyl)-2-methylpropionate

2.3 Create Date
2006-10-25
3 Chemical and Physical Properties
Molecular Weight 282.76 g/mol
Molecular Formula C15H19ClO3
XLogP33.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count7
Exact Mass282.1022722 g/mol
Monoisotopic Mass282.1022722 g/mol
Topological Polar Surface Area43.4 Ų
Heavy Atom Count19
Formal Charge0
Complexity317
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1
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154477-54-0
Tagoor Laboratories, established in 2018, is a part of the Tagoor Group. It specializes in providing APIs...
Tagoor Laboratories, established in 2018, is a part of the Tagoor Group. It specializes in providing APIs, advanced intermediates and key starting materials for critical and high-growth therapeutic areas, with an emphasis on affordability, quality and timely delivery. It also provides end-to-end CDMO services. Headquartered in Hyderabad, Tagoor Labs is a fast-growing Indian pharma company that serves both branded and generic companies worldwide. The company’s organizational function includes R&D, supply chain, manufacturing, quality testing, quality assurance, regulatory affairs, marketing & sales, and packaging & warehousing departments.
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Amara Labs Pvt Ltd is a WHO-GMP certified manufacturing company wholly owned by a team of technocrats wit...
Amara Labs Pvt Ltd is a WHO-GMP certified manufacturing company wholly owned by a team of technocrats with working experience of more than 20 years in Multi-Nationals Companies like Mylan and Cipla. We offer Active Pharmaceutical Ingredients, custom synthesis for Domestic, Intermediates for regulated markets with a key focus on new molecules. The manufacturing facility for production is equipped with an ability of producing Active Pharmaceutical Ingredients(API’s) in cGMP standards, with additional facilities of Pilot Plant with a full suite for scaling up and validation of new molecules
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Keminntek Laboratories is a Hyderabad (India) based Contract Research Organization in Pharmaceutical sect...
Keminntek Laboratories is a Hyderabad (India) based Contract Research Organization in Pharmaceutical sector in specific Pharmaceutical Intermediates, Speciality Chemicals, Impurities and Active Pharmaceutical Ingredients. Our vision is to build Keminntek Laboratories into a world class leading pharmaceutical service provider based on innovation while keeping health & prosperity in mind. Imperatively, we will continue our business with high standards of ethics in the interest of society and environment. We are committed towards improving people’s health through science and innovation.
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154477-54-0
Keminntek Laboratories is a Hyderabad (India) based Contract Research Organization in Pharmaceutical sect...
Keminntek Laboratories is a Hyderabad (India) based Contract Research Organization in Pharmaceutical sector in specific Pharmaceutical Intermediates, Speciality Chemicals, Impurities and Active Pharmaceutical Ingredients. Our vision is to build Keminntek Laboratories into a world class leading pharmaceutical service provider based on innovation while keeping health & prosperity in mind. Imperatively, we will continue our business with high standards of ethics in the interest of society and environment. We are committed towards improving people’s health through science and innovation.
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Sanpra Synthesis strongly believes that with its expertise and innovative pharmaceutical business backgro...
Sanpra Synthesis strongly believes that with its expertise and innovative pharmaceutical business background, it is aptly positioned for APIs and intermediates manufacturing and outsourcing for the global market. We also undertake custom synthesis and contract manufacturing. Setting up multiple c GMP-manufacturing facility and world-class R&D center located in Vizag APSEZ De-notified area with well connected to road, rail, and air enabling cargo movement to the nearest transport facility in commercial production from January 2020.
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Smilax Laboratories Limited is a research-driven, vertically integrated pharmaceutical company manufactur...
Smilax Laboratories Limited is a research-driven, vertically integrated pharmaceutical company manufacturing Active Pharmaceutical Ingredients, API Intermediates and NDDS/Pellets for the generics market across the world. Set up in 2005, Smilax has emerged a reliable supplier of generic products in the global market today. Set up in 2005, Smilax has emerged a reliable supplier of generic products in the global market today.Set up in 2005, Smilax has emerged a reliable supplier of generic products in the global market today. Smilax manufactures APIs and API Intermediates at its state-of-the-art manufacturing facilities located at Hyderabad, Telangana and Visakhapatnam, Andhra Pradesh, India. Supported by a highly qualified and competent technical team, and endowed with strengths in research and development, Smilax continues to expand its presence in the world of pharmaceuticals.
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