N-Acetyl-4-fluoro-DL-phenylalanine - ≥97% , CAS No.17481-06-0

CAS: 17481-06-0 Cat. No.: I167927 Molecular Weight: 225.22 EC Number: 241-495-5
AVAILABLE TO ORDER
GRADE & PURITY ≥97%
Synonyms
N-acetyl-4-fluorophenylalanine | SCHEMBL504108 | 2-acetamido-3-(4-fluorophenyl)propanoic acid (3) | (2S)-2-acetamido-3-(4-fluorophenyl)propanoic acid | EN300-1217891 | n-acetyl-dl-4-fluorophenylalanine | HMS2382I08 | SMR000019466 | AKOS001667260 | n-Acety
Storage
Room temperature
Shipped In
Normal
 ·  off list, applied to all prices below.
Size
Status
Price
Qty
1g
I167927-1g
4

$9.90

$14.90
Save $5.00 (33.56%)
5g
I167927-5g
3

$28.90

$43.90
Save $15.00 (34.17%)
25g
I167927-25g
1

$143.90

$215.90
Save $72.00 (33.35%)
Enter a quantity for the sizes you want to add.
🧪

Why this grade

≥97% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

🌡

Storage & shipping

Room temperature Ships Normal Check lot-specific COA for exact specifications.

📋

Quality documents

SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.

📚

Literature proof

Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Specifications

Synonyms
N-acetyl-4-fluorophenylalanine | SCHEMBL504108 | 2-acetamido-3-(4-fluorophenyl)propanoic acid (3) | (2S)-2-acetamido-3-(4-fluorophenyl)propanoic acid | EN300-1217891 | n-acetyl-dl-4-fluorophenylalanine | HMS2382I08 | SMR000019466 | AKOS001667260 | n-Acety
Specifications & Purity
≥97%
Storage
Room temperature
Shipped In
Normal
Purity
≥97%
Names and Identifiers
Pubchem Sid488192379
Pubchem Sid Urlhttps://pubchem.ncbi.nlm.nih.gov/substance/488192379
Canonical SmilesCC(=O)NC(CC1=CC=C(C=C1)F)C(=O)O
IUPAC Name2-acetamido-3-(4-fluorophenyl)propanoic acid
InChIKeyNRLBRFQYMSTLJK-UHFFFAOYSA-N
INCHI1S/C11H12FNO3/c1-7(14)13-10(11(15)16)6-8-2-4-9(12)5-3-8/h2-5,10H,6H2,1H3,(H,13,14)(H,15,16)
Isomeric SMILES CC(=O)NC(CC1=CC=C(C=C1)F)C(=O)O
WGK Germany 3
Molecular Weight 225.22
Reaxy-Rn 3206105
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3206105&ln=

Documentation

📋 Safety Data Sheet (SDS)

Comprehensive hazard, handling, storage, and regulatory compliance document.

Download SDS →

✅ Certificate of Analysis (COA)

Lot-specific quality data. Enter your lot number to retrieve the exact COA.

Look up COA →

📊 Datasheet

Quick-reference summary of product specifications and applications.

View datasheet →

🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

View spec sheet →

Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassOrganic acids and derivatives
ClassCarboxylic acids and derivatives
SubclassAmino acids, peptides, and analogues
Intermediate Tree Nodes Amino acids and derivatives - Alpha amino acids and derivatives
Direct ParentPhenylalanine and derivatives
Alternative Parents N-acyl-alpha amino acids  Phenylpropanoic acids  Amphetamines and derivatives  Fluorobenzenes  Aryl fluorides  Acetamides  Secondary carboxylic acid amides  Monocarboxylic acids and derivatives  Carboxylic acids  Organopnictogen compounds  Organonitrogen compounds  Organofluorides  Organic oxides  Hydrocarbon derivatives  Carbonyl compounds  
Molecular FrameworkAromatic homomonocyclic compounds
Substituents Phenylalanine or derivatives - N-acyl-alpha-amino acid - N-acyl-alpha amino acid or derivatives - 3-phenylpropanoic-acid - Amphetamine or derivatives - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Acetamide - Carboxamide group - Secondary carboxylic acid amide - Monocarboxylic acid or derivatives - Carboxylic acid - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic nitrogen compound - Carbonyl group - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organohalogen compound - Organofluoride - Aromatic homomonocyclic compound
DescriptionThis 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
3D Structure
Interactive Chemical Structure Model





Associated Targets(Human)
CYP1A2 Tchem Cytochrome P450 1A2 (1 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
CYP2D6 Tclin Cytochrome P450 2D6 (33882 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CYP1A2 Tchem Cytochrome P450 1A2 (26471 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CYP2C9 Tchem Cytochrome P450 2C9 (32119 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CYP2C19 Tchem Cytochrome P450 2C19 (29246 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CYP3A4 Tclin Cytochrome P450 3A4 (53859 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
GNAS Tbio Guanine nucleotide-binding protein G(s), subunit alpha (103405 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
EHMT2 Tchem Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 (93046 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Associated Targets(non-human)
Plasmodium falciparum (966862 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Mechanisms of Action
Certificates(CoA,COO,BSE/TSE and Analysis Chart)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

3 results found

Lot NumberCertificate TypeDateItem
K2108583Certificate of AnalysisAug 20, 2024 I167927
K2108838Certificate of AnalysisAug 20, 2024 I167927
K2108840Certificate of AnalysisAug 20, 2024 I167927
Chemical and Physical Properties
Melt Point(°C)150-153 °C (lit.)
Molecular Weight225.220 g/mol
XLogP30.200
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Exact Mass225.08 Da
Monoisotopic Mass225.08 Da
Topological Polar Surface Area66.400 Ų
Heavy Atom Count16
Formal Charge0
Complexity262.000
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count1
Solution Calculators
Reviews

Customer Reviews

Shall we send you a message when we have discounts available?

Remind me later

Thank you! Please check your email inbox to confirm.

Oops! Notifications are disabled.