N-Phthaloyl-L-phenylalanine - ≥98% , CAS No.5123-55-7

CAS: 5123-55-7 Cat. No.: P116999 Molecular Weight: 295.29 Beilstein Registry Number: 90080 EC Number: 610-635-0
AVAILABLE TO ORDER
GRADE & PURITY ≥98%
Synonyms
F10912 | BB 0249704 | 2-(1,3-Dioxo-1,3-dihydro-2H-isoindol-2-yl)-3-phenylpropanoic acid # | NCGC00013262 | NCGC00096381-01 | AS-46920 | NSC 338600 | N-Pht-Phe-OH | 2-Isoindolineacetic acid,3-dioxo-, (S)-(-)- | (S)-N-Phthaloylphenylalanine | 2-Isoindolinea
Storage
Store at 2-8°C
Shipped In
Wet ice
 ·  off list, applied to all prices below.
Size
Status
Price
Qty
5g
P116999-5g
3
$25.90
25g
P116999-25g
3
$58.90
100g
P116999-100g
2
$161.90
Enter a quantity for the sizes you want to add.
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Why this grade

≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

🌡

Storage & shipping

Store at 2-8°C Ships Wet ice 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
F10912 | BB 0249704 | 2-(1, 3-Dioxo-1, 3-dihydro-2H-isoindol-2-yl)-3-phenylpropanoic acid # | NCGC00013262 | NCGC00096381-01 | AS-46920 | NSC 338600 | N-Pht-Phe-OH | 2-Isoindolineacetic acid, 3-dioxo-, (S)-(-)- | (S)-N-Phthaloylphenylalanine | 2-Isoindolinea
Specifications & Purity
≥98%
Storage
Store at 2-8°C
Shipped In
Wet ice
This product requires cold chain shipping. Ground and other economy services are not available.
Purity
≥98%
Names and Identifiers
Pubchem Sid504758504
Pubchem Sid Urlhttps://pubchem.ncbi.nlm.nih.gov/substance/504758504
Canonical SmilesC1=CC=C(C=C1)CC(C(=O)O)N2C(=O)C3=CC=CC=C3C2=O
IUPAC Name(2S)-2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanoic acid
InChIKeyVAYRSTHMTWUHGE-AWEZNQCLSA-N
INCHI1S/C17H13NO4/c19-15-12-8-4-5-9-13(12)16(20)18(15)14(17(21)22)10-11-6-2-1-3-7-11/h1-9,14H,10H2,(H,21,22)/t14-/m0/s1
Isomeric SMILES C1=CC=C(C=C1)C[C@@H](C(=O)O)N2C(=O)C3=CC=CC=C3C2=O
WGK Germany 3
Molecular Weight 295.29
Beilstein 90080
Reaxy-Rn 90078
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=90078&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 Phthalimides  Phenylpropanoic acids  Amphetamines and derivatives  Isoindoles  N-substituted carboxylic acid imides  Monocarboxylic acids and derivatives  Carboxylic acids  Azacyclic compounds  Organopnictogen compounds  Organonitrogen compounds  Organic oxides  Hydrocarbon derivatives  Carbonyl compounds  
Molecular FrameworkAromatic heteropolycyclic compounds
Substituents Phenylalanine or derivatives - Phthalimide - 3-phenylpropanoic-acid - Amphetamine or derivatives - Isoindolone - Isoindoline - Isoindole - Isoindole or derivatives - Monocyclic benzene moiety - Benzenoid - Carboxylic acid imide, n-substituted - Carboxylic acid imide - Carboxylic acid - Azacycle - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Carbonyl group - Organic oxygen compound - Aromatic heteropolycyclic 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)
DNMT1 Tclin DNA (cytosine-5)-methyltransferase 1 (978 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
ALDH1A1 Tchem Aldehyde dehydrogenase 1A1 (77053 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
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
HCT-8 (3484 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
SF-295 (48000 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
MDA-MB-435 (38290 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Associated Targets(non-human)
Mus musculus (284745 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Splenocyte (1641 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
I2216315Certificate of AnalysisJun 15, 2026 P116999
I2216345Certificate of AnalysisJun 15, 2026 P116999
I2216474Certificate of AnalysisJun 15, 2026 P116999
Chemical and Physical Properties
SolubilitySoluble in methanol. (almost transparency)
Specific Rotation[α]-216.5 ° (C=2, EtOH)
Melt Point(°C)181-185°C
Molecular Weight295.290 g/mol
XLogP32.500
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Exact Mass295.084 Da
Monoisotopic Mass295.084 Da
Topological Polar Surface Area74.700 Ų
Heavy Atom Count22
Formal Charge0
Complexity445.000
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count1
Solution Calculators
Reviews

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