Avarol - ≥97% , CAS No.55303-98-5

CAS: 55303-98-5 Cat. No.: A274652 Peso molecular: 314.46

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Avarol - ≥97% CAS No(55303-98-5) by Aladdin Scientific

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Disponible para pedir

GRADE & PURITY ≥97%

Synonyms

1,4-BENZENEDIOL, 2-(((1R,2S,4AS,8AS)-1,2,3,4,4A,7,8,8A-OCTAHYDRO-1,2,4A,5-TETRAMETHYL-1-NAPHTHALENYL)METHYL)- | (+)-AVAROL | SCHEMBL186460 | 1,4-Benzenediol, 2-((1,2,3,4,4a,7,8,8a-octahydro-1,2,4a,5-tetramethyl-1-naphthalenyl)methyl)-, (1R-(1-alpha,2-beta

Storage

Protected from light,Store at -20°C,Desiccated

Shipped In

Ice chest + Ice pads

Descripción general Specifications Nombres e identificadores Documentation Advanced Data Taxonomic Classification Estructura 3D Objetivos asociados (humanos) Objetivos asociados (no humanos) Mecanismos de acción Certificados (CoA, COO, BSE/TSE y tabla de análisis) Propiedades químicas y físicas Calculadoras de soluciones Reseñas

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Why this grade

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

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Storage & shipping

Protected from light,Store at -20°C,Desiccated Ships Ice chest + Ice pads 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.

Descripción general

Store at -20°C. It is important to note that this product is reported to be light sensitive. Store In the Dark. Store under desiccating conditions.

Specifications

Sinónimos

1, 4-BENZENEDIOL, 2-(((1R, 2S, 4AS, 8AS)-1, 2, 3, 4, 4A, 7, 8, 8A-OCTAHYDRO-1, 2, 4A, 5-TETRAMETHYL-1-NAPHTHALENYL)METHYL)- | (+)-AVAROL | SCHEMBL186460 | 1, 4-Benzenediol, 2-((1, 2, 3, 4, 4a, 7, 8, 8a-octahydro-1, 2, 4a, 5-tetramethyl-1-naphthalenyl)methyl)-, (1R-(1-alpha, 2-beta

Especificaciones y pureza

≥97%

Mecanismos bioquímicos y fisiológicos

Potent leukotriene B4 inhibitor (IC 50 = 0.6 μM). Anti-inflammatory agent. Inhibits TNF-α (IC 50 = 1 μM) and NFκB. Inhibits thromboxane B2 release and phospholipase A2 activity (IC 50 values are 1.4 and 158 μM respectively).

Condiciones de almacenamiento de almacenamiento

Protected from light, Store at -20°C, Desiccated

Enviado en

Ice chest + Ice pads

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Tipo de acción

INHIBITOR

Nota

Wherever possible, you should prepare and use solutions on the same day. However, if you need to make up stock solutions in advance, we recommend that you store the solution as aliquots in tightly sealed vials at -20°C. Generally, these will be useable for up to one month. Before use, and prior to opening the vial we recommend that you allow your product to equilibrate to room temperature for at least 1 hour. Need more advice on solubility, usage and handling? Please visit our frequently asked questions (FAQ) page for more details.

Pureza

≥97%

Nombres e identificadores

Sonrisas canónicas	CC1CCC2(C(C1(C)CC3=C(C=CC(=C3)O)O)CCC=C2C)C
IUPAC Name	2-[[(1R,2S,4aS,8aS)-1,2,4a,5-tetramethyl-2,3,4,7,8,8a-hexahydronaphthalen-1-yl]methyl]benzene-1,4-diol
InChIKey	JSPUCPNQXKTYRO-LWILDLIXSA-N
INCHI	1S/C21H30O2/c1-14-6-5-7-19-20(14,3)11-10-15(2)21(19,4)13-16-12-17(22)8-9-18(16)23/h6,8-9,12,15,19,22-23H,5,7,10-11,13H2,1-4H3/t15-,19+,20+,21+/m0/s1
Isómeros SMILES	C[C@H]1CC[C@]2([C@H]([C@]1(C)CC3=C(C=CC(=C3)O)O)CCC=C2C)C
Peso molecular	314.46
Reaxy-Rn	1997611
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1997611&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

Kingdom Organic compounds
- Superclass Benzenoids
  - Clase Phenols
    - Subclass Benzenediols

Kingdom	Organic compounds
Superclass	Benzenoids
Clase	Phenols
Subclass	Benzenediols
Intermediate Tree Nodes	Not available
Direct Parent	Hydroquinones
Alternative Parents	1-hydroxy-2-unsubstituted benzenoids Benzene and substituted derivatives Organooxygen compounds Hydrocarbon derivatives
Molecular Framework	Aromatic homopolycyclic compounds
Substituents	Hydroquinone - 1-hydroxy-2-unsubstituted benzenoid - Monocyclic benzene moiety - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Aromatic homopolycyclic compound
Descripción	This compound belongs to the class of organic compounds known as hydroquinones. These are compounds containing a hydroquinone moiety, which consists of a benzene ring with a hydroxyl groups at positions 1 and 4.
External Descriptors	Not available
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61. DOI: 10.1186/s13321-016-0174-y

Estructura 3D

Objetivos asociados (humanos)

ACHE Tclin Acetylcholinesterase (18204 Activities)

Discover Target: ACHE

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

PTGS2 Tclin Cyclooxygenase-2 (13999 Activities)

Discover Target: PTGS2

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

CETP Tchem Cholesteryl ester transfer protein (2422 Activities)

Discover Target: CETP

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

HT-29 (80576 Activities)

Solubilidad	Soluble in ethanol and DMSO
Sensibilidad	light sensitive
Peso molecular	314.500 g/mol
XLogP3	6.000
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Exact Mass	314.225 Da
Monoisotopic Mass	314.225 Da
Topological Polar Surface Area	40.500 Å²
Heavy Atom Count	23
Formal Charge	0
Complexity	470.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	4
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	1