Dihydrocubebin , CAS No.24563-03-9

CAS: 24563-03-9 Cat. No.: D668131 Molecular Weight: 358.4 PubChem CID: 193042
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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
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Size
Status
Price
Qty
1mg
D668131-1mg
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$999.90
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5mg
D668131-5mg
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$1,999.90

$2,999.90
Save $1,000.00 (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.

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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

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
Action Type
INHIBITOR
Product Properties
ALogP2.9
Names and Identifiers
Canonical SmilesC1OC2=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
Isomeric SMILES C1OC2=C(O1)C=C(C=C2)C[C@@H](CO)[C@@H](CC3=CC4=C(C=C3)OCO4)CO
PubChem CID 193042
Molecular Weight 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.

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🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

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Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassLignans, neolignans and related compounds
ClassDibenzylbutane 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
DescriptionThis 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
3D Structure
Interactive Chemical Structure Model





Associated Targets(Human)
CYP3A4 Tclin Cytochrome P450 3A4 (1 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
CYP2D6 Tclin Cytochrome P450 2D6 (33882 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CYP3A4 Tclin Cytochrome P450 3A4 (53859 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
MCF7 (126967 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
KB (17409 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Associated Targets(non-human)
Leishmania amazonensis (3813 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Vero (26788 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Ileum (29 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 Weight358.400 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
Solution Calculators
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