5-(Benzyloxy)-2-(hydroxymethyl)pyridin-4(1H)-one - ≥97% , CAS No.59281-14-0

CAS: 59281-14-0 Cat. No.: B589591 Molecular Weight: 231.25 EC Number: 830-279-1
AVAILABLE TO ORDER
GRADE & PURITY ≥97%
Synonyms
MLS000849809 | 2-Pyridinemethanol, 4-hydroxy-5-(phenylmethoxy)- | IWJLZADTSIIYBX-UHFFFAOYSA-N | CHEBI:183675 | Oprea1_250791 | 5-(benzyloxy)-2-(hydroxymethyl)pyridin-4(1H)-one | SCHEMBL71120 | 5-benzyloxy-2-hydroxymethylpyridin-4(1h)-one | MFCD12922670 |
Storage
Store at 2-8°C,Desiccated
Shipped In
Wet ice
 ·  off list, applied to all prices below.
Size
Status
Price
Qty
250mg
B589591-250mg
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.
$16.90
1g
B589591-1g
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.
$39.90
5g
B589591-5g
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.
$179.90
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Why this grade

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

🌡

Storage & shipping

Store at 2-8°C,Desiccated 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
MLS000849809 | 2-Pyridinemethanol, 4-hydroxy-5-(phenylmethoxy)- | IWJLZADTSIIYBX-UHFFFAOYSA-N | CHEBI:183675 | Oprea1_250791 | 5-(benzyloxy)-2-(hydroxymethyl)pyridin-4(1H)-one | SCHEMBL71120 | 5-benzyloxy-2-hydroxymethylpyridin-4(1h)-one | MFCD12922670 |
Specifications & Purity
≥97%
Storage
Store at 2-8°C, Desiccated
Shipped In
Wet ice
This product requires cold chain shipping. Ground and other economy services are not available.
Purity
≥97%
Names and Identifiers
Canonical SmilesC1=CC=C(C=C1)COC2=CNC(=CC2=O)CO
IUPAC Name2-(hydroxymethyl)-5-phenylmethoxy-1H-pyridin-4-one
InChIKeyIWJLZADTSIIYBX-UHFFFAOYSA-N
INCHI1S/C13H13NO3/c15-8-11-6-12(16)13(7-14-11)17-9-10-4-2-1-3-5-10/h1-7,15H,8-9H2,(H,14,16)
Isomeric SMILES C1=CC=C(C=C1)COC2=CNC(=CC2=O)CO
Molecular Weight 231.25
Reaxy-Rn 1536715
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1536715&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 oxygen compounds
ClassOrganooxygen compounds
SubclassEthers
Intermediate Tree Nodes Not available
Direct ParentAlkyl aryl ethers
Alternative Parents Dihydropyridines  Benzene and substituted derivatives  Vinylogous amides  Heteroaromatic compounds  Cyclic ketones  Azacyclic compounds  Primary alcohols  Organopnictogen compounds  Organonitrogen compounds  Organic oxides  Hydrocarbon derivatives  Aromatic alcohols  
Molecular FrameworkAromatic heteromonocyclic compounds
Substituents Alkyl aryl ether - Dihydropyridine - Monocyclic benzene moiety - Hydropyridine - Pyridine - Benzenoid - Heteroaromatic compound - Vinylogous amide - Cyclic ketone - Azacycle - Organoheterocyclic compound - Aromatic alcohol - Alcohol - Primary alcohol - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic nitrogen compound - Aromatic heteromonocyclic compound
DescriptionThis compound belongs to the class of organic compounds known as alkyl aryl ethers. These are organic compounds containing the alkyl aryl ether functional group with the generic formula R-O-R' , where R is an alkyl group and R' is an aryl group.
External Descriptors Not available
3D Structure
Interactive Chemical Structure Model





Associated Targets(Human)
HepG2 (196354 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
SMAD3 Tchem Mothers against decapentaplegic homolog 3 (68039 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
GMNN Tbio Geminin (128009 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CBX1 Tbio Chromobox protein homolog 1 (92434 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:
Chemical and Physical Properties
Molecular Weight231.250 g/mol
XLogP30.900
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Exact Mass231.09 Da
Monoisotopic Mass231.09 Da
Topological Polar Surface Area58.600 Ų
Heavy Atom Count17
Formal Charge0
Complexity341.000
Isotope Atom Count0
Defined Atom Stereocenter Count0
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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