(3S)-3-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}-5-(methylsulfanyl)pentanoic acid - ≥95% , CAS No.1217832-67-1

CAS: 1217832-67-1 Cat. No.: S1328918 EC Number: 189-963-7 PubChem CID: 2761535
AVAILABLE TO ORDER
GRADE & PURITY ≥95%
Storage
Room temperature
 ·  off list, applied to all prices below.
Size
Status
Price
Qty
1g
S1328918-1g
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$751.90
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Why this grade

≥95% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

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Storage & shipping

Room temperature Ships 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
≥95%
Storage
Room temperature
Purity
≥95%
Names and Identifiers
Canonical SmilesCSCCC(CC(=O)O)NC(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13
IUPAC Name(3S)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-5-methylsulfanylpentanoic acid
InChIKeyXYWOGXWKXWWADY-CQSZACIVSA-N
INCHI1S/C21H23NO4S/c1-27-11-10-14(12-20(23)24)22-21(25)26-13-19-17-8-4-2-6-15(17)16-7-3-5-9-18(16)19/h2-9,14,19H,10-13H2,1H3,(H,22,25)(H,23,24)/t14-/m1/s1
Isomeric SMILES CSCC[C@H](CC(=O)O)NC(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13
Alternate CAS 266359-48-2
PubChem CID 2761535

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.

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🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

View spec sheet →

Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassBenzenoids
ClassFluorenes
SubclassNot available
Intermediate Tree Nodes Not available
Direct ParentFluorenes
Alternative Parents Carbamate esters  Organic carbonic acids and derivatives  Sulfenyl compounds  Monocarboxylic acids and derivatives  Dialkylthioethers  Carboxylic acids  Organopnictogen compounds  Organonitrogen compounds  Organic oxides  Hydrocarbon derivatives  Carbonyl compounds  
Molecular FrameworkAromatic homopolycyclic compounds
Substituents Fluorene - Carbamic acid ester - Carbonic acid derivative - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Thioether - Sulfenyl compound - Dialkylthioether - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Carbonyl group - Organopnictogen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Aromatic homopolycyclic compound
DescriptionThis compound belongs to the class of organic compounds known as fluorenes. These are compounds containing a fluorene moiety, which consists of two benzene rings connected through either a cyclopentane, cyclopentene, or cyclopenta-1,3-diene.
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 Weight385.500 g/mol
XLogP33.600
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count9
Exact Mass385.135 Da
Monoisotopic Mass385.135 Da
Topological Polar Surface Area101.000 Ų
Heavy Atom Count27
Formal Charge0
Complexity492.000
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
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