7-Chloro-2-((4-methoxyphenyl)methyl)-3-methyl-5-propyl-4-benzofuranol , CAS No.102612-16-8

CAS: 102612-16-8 Cat. No.: C668053 Peso molecular: 344.8 PubChem CID: 128132
Disponible para pedir
Synonyms
L 656224 | L-656224 | 7-Chloro-2-(4-methoxybenzyl)-3-methyl-5-propylbenzofuran-4-ol | 7-Chloro-2-((4-methoxyphenyl)methyl)-3-methyl-5-propyl-4-benzofuranol | 4-Benzofuranol, 7-chloro-2-[(4-methoxyphenyl)methyl]-3-methyl-5-propyl- | 7-Chloro-2-((4-methoxyp
Storage
Room temperature
 ·  off list, applied to all prices below.
Size
Estado
Price
Qty
1mg
C668053-1mg
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.

571,90US$

999,90US$
Guardar 428,00 US$ (42.80%)
5mg
C668053-5mg
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.

1.999,90US$

2.999,90US$
Guardar 1.000,00 US$ (33.33%)
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Why this grade

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

Sinónimos
L 656224 | L-656224 | 7-Chloro-2-(4-methoxybenzyl)-3-methyl-5-propylbenzofuran-4-ol | 7-Chloro-2-((4-methoxyphenyl)methyl)-3-methyl-5-propyl-4-benzofuranol | 4-Benzofuranol, 7-chloro-2-[(4-methoxyphenyl)methyl]-3-methyl-5-propyl- | 7-Chloro-2-((4-methoxyp
Condiciones de almacenamiento de almacenamiento
Room temperature
Tipo de acción
INHIBITOR
Propiedades del producto
ALogP6.2
Nombres e identificadores
Sonrisas canónicasCCCC1=CC(=C2C(=C1O)C(=C(O2)CC3=CC=C(C=C3)OC)C)Cl
IUPAC Name7-chloro-2-[(4-methoxyphenyl)methyl]-3-methyl-5-propyl-1-benzofuran-4-ol
InChIKeyPLRQEJPVGOQVSJ-UHFFFAOYSA-N
INCHI1S/C20H21ClO3/c1-4-5-14-11-16(21)20-18(19(14)22)12(2)17(24-20)10-13-6-8-15(23-3)9-7-13/h6-9,11,22H,4-5,10H2,1-3H3
Isómeros SMILES CCCC1=CC(=C2C(=C1O)C(=C(O2)CC3=CC=C(C=C3)OC)C)Cl
PubChem CID 128132
Peso molecular 344.8

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.

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📊 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
SuperclassOrganoheterocyclic compounds
ClaseBenzofurans
SubclassNot available
Intermediate Tree Nodes Not available
Direct ParentBenzofurans
Alternative Parents Phenoxy compounds  Methoxybenzenes  Anisoles  Alkyl aryl ethers  Aryl chlorides  Heteroaromatic compounds  Furans  Oxacyclic compounds  Organochlorides  Hydrocarbon derivatives  
Molecular FrameworkAromatic heteropolycyclic compounds
Substituents Benzofuran - Phenoxy compound - Anisole - Methoxybenzene - Phenol ether - Alkyl aryl ether - Aryl chloride - Benzenoid - Aryl halide - Monocyclic benzene moiety - Heteroaromatic compound - Furan - Oxacycle - Ether - Organochloride - Organooxygen compound - Organic oxygen compound - Organohalogen compound - Hydrocarbon derivative - Aromatic heteropolycyclic compound
DescripciónThis compound belongs to the class of organic compounds known as benzofurans. These are organic compounds containing a benzene ring fused to a furan. Furan is a five-membered aromatic ring with four carbon atoms and one oxygen atom.
External Descriptors Not available
Estructura 3D
Modelo de Estructura Química Interactiva





Objetivos asociados (humanos)
ALOX5 Tclin Arachidonate 5-lipoxygenase (2 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
ALOX5 Tclin Arachidonate 5-lipoxygenase (6568 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
ALOX12 Tchem Arachidonate 12-lipoxygenase (3262 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
ALOX15 Tchem Arachidonate 15-lipoxygenase (7108 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Objetivos asociados (no humanos)
Rattus norvegicus (775804 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Mecanismos de acción
Certificados (CoA, COO, BSE/TSE y tabla de análisis)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Propiedades químicas y físicas
Peso molecular344.800 g/mol
XLogP36.200
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count5
Exact Mass344.118 Da
Monoisotopic Mass344.118 Da
Topological Polar Surface Area42.600 Ų
Heavy Atom Count24
Formal Charge0
Complexity396.000
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
Calculadoras de soluciones
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