2-{[(9H-Fluoren-9-ylmethoxy)carbonyl]amino}-3-(3-methoxyphenyl)propanoic acid - ≥98% , CAS No.376588-52-2

CAS: 376588-52-2 Cat. No.: H1311917 Molecular Weight: 417.5
AVAILABLE TO ORDER
GRADE & PURITY ≥98%
Storage
Room temperature
Shipped In
Normal
 ·  off list, applied to all prices below.
Size
Status
Price
Qty
500mg
H1311917-500mg
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.
$182.90
10g
H1311917-10g
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.
$3,375.90
25g
H1311917-25g
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.
$6,939.90
50g
H1311917-50g
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.
$12,443.90
100g
H1311917-100g
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.
$22,899.90
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Why this grade

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

🌡

Storage & shipping

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

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Quality documents

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

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Literature proof

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

Specifications

Specifications & Purity
≥98%
Storage
Room temperature
Shipped In
Normal
Purity
≥98%
Names and Identifiers
Canonical SmilesCOC1=CC=CC(=C1)CC(C(=O)O)NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24
IUPAC Name2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(3-methoxyphenyl)propanoic acid
InChIKeyIKKQVAWYVGALAQ-UHFFFAOYSA-N
INCHI1S/C25H23NO5/c1-30-17-8-6-7-16(13-17)14-23(24(27)28)26-25(29)31-15-22-20-11-4-2-9-18(20)19-10-3-5-12-21(19)22/h2-13,22-23H,14-15H2,1H3,(H,26,29)(H,27,28)
Molecular Weight 417.5

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 Fluorenes  Phenylpropanoic acids  Amphetamines and derivatives  Phenoxy compounds  Methoxybenzenes  Anisoles  Alkyl aryl ethers  Carbamate esters  Monocarboxylic acids and derivatives  Carboxylic acids  Organonitrogen compounds  Organic oxides  Hydrocarbon derivatives  Carbonyl compounds  
Molecular FrameworkAromatic homopolycyclic compounds
Substituents Phenylalanine or derivatives - Fluorene - 3-phenylpropanoic-acid - Amphetamine or derivatives - Phenoxy compound - Anisole - Methoxybenzene - Phenol ether - Alkyl aryl ether - Monocyclic benzene moiety - Benzenoid - Carbamic acid ester - Carboxylic acid - Ether - Monocarboxylic acid or derivatives - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Aromatic homopolycyclic 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





Certificates(CoA,COO,BSE/TSE and Analysis Chart)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Chemical and Physical Properties
Molecular Weight417.500 g/mol
XLogP34.600
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count8
Exact Mass417.158 Da
Monoisotopic Mass417.158 Da
Topological Polar Surface Area84.900 Ų
Heavy Atom Count31
Formal Charge0
Complexity603.000
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
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