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Fmoc-D-Phe(3-CF₃)-OH - ≥98%, high purity , CAS No.205526-28-9

COA

Grade & Purity:

≥98%

Cas Number: 205526-28-9
Molecular Weight: 455.43
MDL number: MFCD00672556
PubChem CID: 2777607
PubChem SID: 504761984

In stock

Item Number

F137097

Grouped product items
SKU	Size	Availability	Price
F137097-250mg	250mg	3	$126.90
F137097-1g	1g	3	$388.90
F137097-5g	5g	3	$1,748.90

Basic Description

Synonyms	205526-28-9 \| Fmoc-D-3-Trifluoromethylphenylalanine \| Fmoc-3-Trifluoromethyl-D-Phenylalanine \| FMOC-D-3-Trifluoromethylphe \| Fmoc-D-Phe(3-CF3)-OH \| (R)-2-((((9H-fluoren-9-yl)methoxy)carbonyl)amino)-3-(3-(trifluoromethyl)phenyl)propanoic acid \| (2R)-2-(9H-fluoren-9-yl
Specifications & Purity	≥98%
Storage Temp	Store at 2-8°C
Shipped In	Wet ice This product requires cold chain shipping. Ground and other economy services are not available.

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organic acids and derivatives
  - Class Carboxylic acids and derivatives
    - Subclass Amino acids, peptides, and analogues
      - Level5 Amino acids and derivatives
        Level6 Alpha amino acids and derivatives
        Level7 Phenylalanine and derivatives

Kingdom	Organic compounds
Superclass	Organic acids and derivatives
Class	Carboxylic acids and derivatives
Subclass	Amino acids, peptides, and analogues
Intermediate Tree Nodes	Amino acids and derivatives - Alpha amino acids and derivatives
Direct Parent	Phenylalanine and derivatives
Alternative Parents	Fluorenes Phenylpropanoic acids Trifluoromethylbenzenes Amphetamines and derivatives Carbamate esters Organic carbonic acids and derivatives Monocarboxylic acids and derivatives Carboxylic acids Organopnictogen compounds Organonitrogen compounds Organofluorides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl fluorides
Molecular Framework	Aromatic homopolycyclic compounds
Substituents	Phenylalanine or derivatives - Fluorene - 3-phenylpropanoic-acid - Amphetamine or derivatives - Trifluoromethylbenzene - Monocyclic benzene moiety - Benzenoid - Carbamic acid ester - Carbonic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Organonitrogen compound - Organofluoride - Organohalogen compound - Organic oxide - Alkyl halide - Organopnictogen compound - Alkyl fluoride - Carbonyl group - Organic oxygen compound - Organic nitrogen compound - Organooxygen compound - Hydrocarbon derivative - Aromatic homopolycyclic compound
Description	This compound belongs to the class of organic compounds known as phenylalanine and derivatives. These are compounds containing phenylalanine or a derivative thereof resulting from reaction of phenylalanine at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom.
External Descriptors	Not available
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61. DOI: 10.1186/s13321-016-0174-y

Names and Identifiers

Pubchem Sid	504761984
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/504761984
IUPAC Name	(2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-[3-(trifluoromethyl)phenyl]propanoic acid
INCHI	InChI=1S/C25H20F3NO4/c26-25(27,28)16-7-5-6-15(12-16)13-22(23(30)31)29-24(32)33-14-21-19-10-3-1-8-17(19)18-9-2-4-11-20(18)21/h1-12,21-22H,13-14H2,(H,29,32)(H,30,31)/t22-/m1/s1
InChIKey	AJMRBDCOLBEYRZ-JOCHJYFZSA-N
Smiles	C1=CC=C2C(=C1)C(C3=CC=CC=C32)COC(=O)NC(CC4=CC(=CC=C4)C(F)(F)F)C(=O)O
Isomeric SMILES	C1=CC=C2C(=C1)C(C3=CC=CC=C32)COC(=O)N[C@H](CC4=CC(=CC=C4)C(F)(F)F)C(=O)O
WGK Germany	3
Molecular Weight	455.43
Reaxy-Rn	39069272
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=39069272&ln=

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

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3 results found

Lot Number	Certificate Type	Date	Item
B23011035	Certificate of Analysis	Nov 18, 2024	F137097
B23011048	Certificate of Analysis	Nov 18, 2024	F137097
B23011027	Certificate of Analysis	Nov 18, 2024	F137097

Chemical and Physical Properties

Molecular Weight	455.400 g/mol
XLogP3	5.500
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	7
Exact Mass	455.134 Da
Monoisotopic Mass	455.134 Da
Topological Polar Surface Area	75.600 Å²
Heavy Atom Count	33
Formal Charge	0
Complexity	678.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	1

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