CAS 666832-71-9

Chemistry, 3 End Use API, 9 Related Intermediates

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Also known as: 666832-71-9, Uge73xpp8h, 3-methyl-n-(trifluoroacetyl)-l-valine, L-valine, 3-methyl-n-(trifluoroacetyl)-, (2s)-3,3-dimethyl-2-((2,2,2-trifluoroacetyl)amino)butanoic acid, (2s)-3,3-dimethyl-2-[(2,2,2-trifluoroacetyl)amino]butanoic acid

Molecular Formula

C₈H₁₂F₃NO₃

Molecular Weight

227.18 g/mol

InChI Key

FCTPLAZWXGEGKO-SCSAIBSYSA-N

FDA UNII

UGE73XPP8H

1 2D Structure

CAS 666832-71-9

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

(2S)-3,3-dimethyl-2-[(2,2,2-trifluoroacetyl)amino]butanoic acid

2.1.2 InChI

InChI=1S/C8H12F3NO3/c1-7(2,3)4(5(13)14)12-6(15)8(9,10)11/h4H,1-3H3,(H,12,15)(H,13,14)/t4-/m1/s1

2.1.3 InChI Key

FCTPLAZWXGEGKO-SCSAIBSYSA-N

2.1.4 Canonical SMILES

CC(C)(C)C(C(=O)O)NC(=O)C(F)(F)F

2.1.5 Isomeric SMILES

CC(C)(C)[C@@H](C(=O)O)NC(=O)C(F)(F)F

2.2 Other Identifiers

2.2.1 UNII

UGE73XPP8H

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. 666832-71-9

2. Uge73xpp8h

3. 3-methyl-n-(trifluoroacetyl)-l-valine

4. L-valine, 3-methyl-n-(trifluoroacetyl)-

5. (2s)-3,3-dimethyl-2-((2,2,2-trifluoroacetyl)amino)butanoic Acid

6. (2s)-3,3-dimethyl-2-[(2,2,2-trifluoroacetyl)amino]butanoic Acid

7. Unii-uge73xpp8h

8. Schembl6658444

9. At25689

10. Bs-47527

11. Cs-0254971

2.4 Create Date

2012-10-19

3 Chemical and Physical Properties

Molecular Formula	C₈H₁₂F₃NO₃
Molecular Weight	227.18 g/mol
XLogP3	2
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	3
Exact Mass	227.07692773 g/mol
Monoisotopic Mass	227.07692773 g/mol
Topological Polar Surface Area	66.4 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	267
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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Sigmak Lifesciences

Sigmak Lifesciences: Empowering Business with High-quality Ingredients.

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(2S)-3,3-dimethyl-2-(trifluoroacetamido) butanoic acid

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CAS Number

666832-71-9

End Use API

Nirmatrelvir

About the Company

Sigmak Lifesciences is a leading contract manufacturer, merchant exporter, & distributor of pharmaceutica...

Sigmak Lifesciences is a leading contract manufacturer, merchant exporter, & distributor of pharmaceutical APIs & Fine Chemicals. We excel in Contract Manufacturing, covering a wide spectrum of intermediates, including advance intermediates, cGMP, & non-GMP intermediates. We represent GMP and WHO-certified manufacturers of APIs & advanced intermediates, offering Distribution & Agency services with rigorous selection processes & regular audits to guarantee top-quality products. Moreover, our global Strategic Sourcing capabilities provide high-quality ingredients & performance chemicals to the Pharmaceuticals & Specialty Chemical Industries.

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Synaptics Labs

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3-methyl-n-trifluoroacetyl-L-valine

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CAS Number

666832-71-9

End Use API

Nirmatrelvir

About the Company

Synaptics Labs Private Limited is a young Pharmaceutical Company with a fully integrated and globally spe...

Synaptics Labs Private Limited is a young Pharmaceutical Company with a fully integrated and globally specialized in the development, production and marketing of API’s "Active Pharmaceuticals Ingredients" and its advanced Intermediates, thanks to our focus on satisfying our customers' requirements and supporting the consolidation of a robust infrastructure. The Company promoted by a team of technocrats holding a master’s degree in pharmaceuticals and who have been involved in different Pharmaceutical companies since 24years.

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Zenfold Sustainable Technologies

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(2S)-3,3-dimethyl-2-(trifluoroacetamido) butanoic acid

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CAS Number

666832-71-9

End Use API

Nirmatrelvir

About the Company

Zenfold Sustainable Technologies (ZST) is a specialty and fine chemicals company, established in 2021. Ou...

Zenfold Sustainable Technologies (ZST) is a specialty and fine chemicals company, established in 2021. Our advanced technological capabilities and state-of-the-art infrastructure allow us to provide the entire gamut of services involved in manufacturing and contract research — from process development to scaling up. We offer a wide range of APIs and intermediates to customers across industries. We differentiate ourselves in the market with our unique hybridized approach to manufacturing, built on our three core technological platforms: Synthetic Biology, Biotransformation, and Green Chemistry.

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