cohumulone - Moligand™ , Agonist of TAS2R1;Agonist of TAS2R40, CAS No.C608616, Agonist of TAS2R1;Agonist of TAS2R40

CAS: C608616 Cat. No.: C608616 PubChem CID: 196915
AVAILABLE TO ORDER
GRADE & PURITY Moligand™ ? Moligand™ — Aladdin's line of ligands and bioactive small molecules. Use for receptor, pathway, and binding studies needing defined small-molecule tools.
Synonyms
5-(alpha,beta-Dibromophenethyl)-5-methylhydantoin | DTXSID701318500 | SCHEMBL13629034 | 2,5-CYCLOHEXADIEN-1-ONE, 3,4,5-TRIHYDROXY-2,4-BIS(3-METHYL-2-BUTEN-1-YL)-6-(2-METHYL-1-OXOPROPYL)-, (-)- | DRSITEVYZGOOQG-UHFFFAOYSA-N | GTPL12422 | 3,4,5-Trihydroxy-2
Storage
Room temperature
 ·  off list, applied to all prices below.
Size
Status
Price
Qty
1mg
C608616-1mg
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.

$1,714.90

$2,000.90
Save $286.00 (14.29%)
5mg
C608616-5mg
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.

$3,428.90

$4,000.90
Save $572.00 (14.30%)
Enter a quantity for the sizes you want to add.
🧪

Why this grade

Moligand™ Moligand™ 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

Synonyms
5-(alpha, beta-Dibromophenethyl)-5-methylhydantoin | DTXSID701318500 | SCHEMBL13629034 | 2, 5-CYCLOHEXADIEN-1-ONE, 3, 4, 5-TRIHYDROXY-2, 4-BIS(3-METHYL-2-BUTEN-1-YL)-6-(2-METHYL-1-OXOPROPYL)-, (-)- | DRSITEVYZGOOQG-UHFFFAOYSA-N | GTPL12422 | 3, 4, 5-Trihydroxy-2
Specifications & Purity
Moligand™
Storage
Room temperature
Grade
Moligand™
Action Type
AGONIST
Mechanism of action
Agonist of TAS2R1;Agonist of TAS2R40
Names and Identifiers
Canonical SmilesCC(C)C(=O)C1=C(C(=C(C(C1=O)(CC=C(C)C)O)O)CC=C(C)C)O
IUPAC Name3,5,6-trihydroxy-4,6-bis(3-methylbut-2-enyl)-2-(2-methylpropanoyl)cyclohexa-2,4-dien-1-one
InChIKeyDRSITEVYZGOOQG-UHFFFAOYSA-N
INCHI1S/C20H28O5/c1-11(2)7-8-14-17(22)15(16(21)13(5)6)19(24)20(25,18(14)23)10-9-12(3)4/h7,9,13,22-23,25H,8,10H2,1-6H3
Isomeric SMILES CC(C)C(=O)C1=C(C(=C(C(C1=O)(CC=C(C)C)O)O)CC=C(C)C)O
PubChem CID 196915

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
SubclassCarbonyl compounds
Intermediate Tree Nodes Not available
Direct ParentAcyloins
Alternative Parents Vinylogous acids  Tertiary alcohols  Cyclic ketones  Polyols  Enols  Organic oxides  Hydrocarbon derivatives  
Molecular FrameworkAliphatic homomonocyclic compounds
Substituents Acyloin - Vinylogous acid - Tertiary alcohol - Cyclic ketone - Ketone - Polyol - Enol - Organic oxide - Hydrocarbon derivative - Alcohol - Aliphatic homomonocyclic compound
DescriptionThis compound belongs to the class of organic compounds known as acyloins. These are organic compounds containing an alpha hydroxy ketone. Acyloins are formally derived from reductive coupling of carboxylic acyl groups.
External Descriptors Not available
3D Structure
Interactive Chemical Structure Model





Associated Targets(Human)
TAS2R40 Tchem Taste receptor type 2 member 40 (0 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
TAS2R1 Tchem Taste receptor type 2 member 1 (0 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
Certificates(CoA,COO,BSE/TSE and Analysis Chart)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Chemical and Physical Properties
Molecular Weight348.400 g/mol
XLogP34.000
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count6
Exact Mass348.194 Da
Monoisotopic Mass348.194 Da
Topological Polar Surface Area94.800 Ų
Heavy Atom Count25
Formal Charge0
Complexity696.000
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count1
Solution Calculators
Reviews

Customer Reviews

Need help choosing the grade?

Our grade selection guide covers purity, stabilizer status, and application suitability for all variants in our catalog.

View Moligand™ grade guide →

Shall we send you a message when we have discounts available?

Remind me later

Thank you! Please check your email inbox to confirm.

Oops! Notifications are disabled.