Dihydrocubebin , CAS No.24563-03-9

CAS: 24563-03-9 Cat. No.: D668131 Peso molecular: 358.4 PubChem CID: 193042
Disponible para pedir
Synonyms
Dihydrocubebin | (-)-Dihydrocubebin | (2R,3R)-2,3-bis(1,3-benzodioxol-5-ylmethyl)butane-1,4-diol | CHEBI:543841 | 1,4-Butanediol, 2,3-bis(1,3-benzodioxol-5-ylmethyl)-, (2R,3R)- | 1,4-Butanediol, 2,3-bis(1,3-benzodioxol-5-ylmethyl)-, (R-(R*,R*))- | 1,4-But
Storage
Room temperature
 ·  off list, applied to all prices below.
Size
Estado
Price
Qty
1mg
D668131-1mg
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
D668131-5mg
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.

🌡

Storage & shipping

Room temperature Ships 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

Sinónimos
Dihydrocubebin | (-)-Dihydrocubebin | (2R, 3R)-2, 3-bis(1, 3-benzodioxol-5-ylmethyl)butane-1, 4-diol | CHEBI:543841 | 1, 4-Butanediol, 2, 3-bis(1, 3-benzodioxol-5-ylmethyl)-, (2R, 3R)- | 1, 4-Butanediol, 2, 3-bis(1, 3-benzodioxol-5-ylmethyl)-, (R-(R*, R*))- | 1, 4-But
Condiciones de almacenamiento de almacenamiento
Room temperature
Tipo de acción
INHIBITOR
Propiedades del producto
ALogP2.9
Nombres e identificadores
Sonrisas canónicasC1OC2=C(O1)C=C(C=C2)CC(CO)C(CC3=CC4=C(C=C3)OCO4)CO
IUPAC Name(2R,3R)-2,3-bis(1,3-benzodioxol-5-ylmethyl)butane-1,4-diol
InChIKeyJKCVMTYNARDGET-HOTGVXAUSA-N
INCHI1S/C20H22O6/c21-9-15(5-13-1-3-17-19(7-13)25-11-23-17)16(10-22)6-14-2-4-18-20(8-14)26-12-24-18/h1-4,7-8,15-16,21-22H,5-6,9-12H2/t15-,16-/m0/s1
Isómeros SMILES C1OC2=C(O1)C=C(C=C2)C[C@@H](CO)[C@@H](CC3=CC4=C(C=C3)OCO4)CO
PubChem CID 193042
Peso molecular 358.4

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
SuperclassLignans, neolignans and related compounds
ClaseDibenzylbutane lignans
SubclassDibenzylbutanediol lignans
Intermediate Tree Nodes Not available
Direct ParentDibenzylbutanediol lignans
Alternative Parents Benzodioxoles  Benzenoids  Oxacyclic compounds  Acetals  Primary alcohols  Hydrocarbon derivatives  
Molecular FrameworkAromatic heteropolycyclic compounds
Substituents Dibenzylbutanediol - Benzodioxole - Benzenoid - Oxacycle - Organoheterocyclic compound - Acetal - Organic oxygen compound - Hydrocarbon derivative - Primary alcohol - Organooxygen compound - Alcohol - Aromatic heteropolycyclic compound
DescripciónThis compound belongs to the class of organic compounds known as dibenzylbutanediol lignans. These are lignan compounds containing a 2,3-dibenzylbutane-1,4-diol moiety.
External Descriptors Lignans
Estructura 3D
Modelo de Estructura Química Interactiva





Objetivos asociados (humanos)
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Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
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Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CYP3A4 Tclin Cytochrome P450 3A4 (53859 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
MCF7 (126967 Activities)
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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 molecular358.400 g/mol
XLogP32.900
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count7
Exact Mass358.142 Da
Monoisotopic Mass358.142 Da
Topological Polar Surface Area77.400 Ų
Heavy Atom Count26
Formal Charge0
Complexity406.000
Isotope Atom Count0
Defined Atom Stereocenter Count2
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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