rac BHFF - Moligand™, ≥98%(HPLC) , Allosteric modulator of GABA B receptor, CAS No.123557-91-5, Allosteric modulator of GABA B receptor

CAS: 123557-91-5 Cat. No.: R287073 Summenformel: C17H21F3O3 Molekulargewicht: 330.34 EG-Nummer: 802-993-3 PubChem CID: 4332683
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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. ≥98%(HPLC)
Synonyms
BHFF | HY-103519 | 2(3H)-Benzofuranone, 5,7-bis(1,1-dimethylethyl)-3-hydroxy-3-(trifluoromethyl)- | 5,7-di-tert-butyl-3-hydroxy-3-(trifluoromethyl)-1-benzofuran-2(3H)-one | AS-80062 | (3S)-5,7-ditert-butyl-3-hydroxy-3-(trifluoromethyl)-1-benzofuran-2-one
Storage
Store at -20°C
Shipped In
Ice chest + Ice pads
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Size
Deutschland (EU)
USA*
Price
Qty
5mg
R287073-5mg
—
2 Auf Lager
73,67€
10mg
R287073-10mg
—
2 Auf Lager
144,83€
50mg
R287073-50mg
Auf Bestellung · 8–12 Wochen
362,63€
100mg
R287073-100mg
—
2 Auf Lager
643,78€
250mg
R287073-250mg
Auf Bestellung · 8–12 Wochen
1.608,70€
Enter a quantity for the sizes you want to add.
🧪
Why this grade

Moligand™, ≥98%(HPLC) Moligand™ for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

🌡

Storage & shipping

Store at -20°C Ships Ice chest + Ice pads 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

Synonyme
BHFF | HY-103519 | 2(3H)-Benzofuranone, 5,7-bis(1,1-dimethylethyl)-3-hydroxy-3-(trifluoromethyl)- | 5,7-di-tert-butyl-3-hydroxy-3-(trifluoromethyl)-1-benzofuran-2(3H)-one | AS-80062 | (3S)-5,7-ditert-butyl-3-hydroxy-3-(trifluoromethyl)-1-benzofuran-2-one
Spezifikationen & Reinheit
Moligand™, ≥98%(HPLC)
Biochemische und physiologische Mechanismen
A powerful and selective allosteric regulator of GABA B receptor can improve the efficacy and efficacy of GABA (> 15 times and > 149%, respectively)
Storage
Store at -20°C
Verschickt in
Ice chest + Ice pads
Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.
Note
Moligand™
Aktionsart
ALLOSTERIC MODULATOR
Mechanismus der Wirkung
Allosteric modulator of GABA B receptor
Reinheit
≥98%(HPLC)
Namen und Kennungen
Pubchem Sid
Kanonisches Lächeln
CC(C)(C)C1=CC2=C(C(=C1)C(C)(C)C)OC(=O)C2(C(F)(F)F)O
IUPAC Name
5,7-ditert-butyl-3-hydroxy-3-(trifluoromethyl)-1-benzofuran-2-one
InChIKey
RVNOANDLZIIFHB-UHFFFAOYSA-N
INCHI
1S/C17H21F3O3/c1-14(2,3)9-7-10(15(4,5)6)12-11(8-9)16(22,13(21)23-12)17(18,19)20/h7-8,22H,1-6H3
Isomere SMILES
CC(C)(C)C1=CC2=C(C(=C1)C(C)(C)C)OC(=O)C2(C(F)(F)F)O
PubChem CID
4332683
Molekulargewicht
330.34

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
SuperclassOrganoheterocyclic compounds
KlasseBenzofurans
SubclassNot available
Intermediate Tree Nodes Not available
Direct ParentBenzofurans
Alternative Parents Coumarans  Benzenoids  Tertiary alcohols  Lactones  Fluorohydrins  Carboxylic acid esters  Oxacyclic compounds  Monocarboxylic acids and derivatives  Organofluorides  Organic oxides  Hydrocarbon derivatives  Carbonyl compounds  Alkyl fluorides  
Molecular FrameworkAromatic heteropolycyclic compounds
Substituents Benzofuran - Coumaran - Benzenoid - Tertiary alcohol - Carboxylic acid ester - Fluorohydrin - Halohydrin - Lactone - Carboxylic acid derivative - Oxacycle - Monocarboxylic acid or derivatives - Organooxygen compound - Alkyl fluoride - Hydrocarbon derivative - Organic oxide - Alcohol - Carbonyl group - Organic oxygen compound - Alkyl halide - Organohalogen compound - Organofluoride - Aromatic heteropolycyclic compound
BeschreibungThis 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
3D-Struktur
Interaktives chemisches Strukturmodell





Zugehörige Ziele (menschlich)
KCTD8 Tbio BTB/POZ domain-containing protein KCTD8 (0 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
GABBR2 Tclin Gamma-aminobutyric acid type B receptor subunit 2 (0 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
GABBR1 Tclin Gamma-aminobutyric acid type B receptor subunit 1 (0 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
KCTD12 Tchem BTB/POZ domain-containing protein KCTD12 (0 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
KCTD16 Tbio BTB/POZ domain-containing protein KCTD16 (0 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
GABBR1 Tclin GABA-B receptor (281 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Zugehörige Ziele (nicht menschlich)
Hdac6 Histone deacetylase 6 (222 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Mus musculus (284745 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
rep Replicase polyprotein 1ab (378 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Gabrg2 GABA-A receptor; alpha-1/beta-2/gamma-2 (554 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Wirkungsmechanismen
Zertifikate (CoA, COO, BSE/TSE und Analyse-Diagramm)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

5 results found

Lot NumberCertificate TypeDatumArtikel
K2527171Certificate of AnalysisDec 13, 2025 R287073
J2119601Certificate of AnalysisAug 09, 2024 R287073
J2119602Certificate of AnalysisAug 09, 2024 R287073
J2119607Certificate of AnalysisAug 09, 2024 R287073
J2119614Certificate of AnalysisAug 09, 2024 R287073
Chemische und physikalische Eigenschaften
LöslichkeitSolvent:DMSO, Max Conc. mg/mL: 33.03, Max Conc. mM: 100; Solvent:ethanol, Max Conc. mg/mL: 33.03, Max Conc. mM: 100
Molekulargewicht330.340 g/mol
XLogP35.100
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count2
Exact Mass330.144 Da
Monoisotopic Mass330.144 Da
Topological Polar Surface Area46.500 Ų
Heavy Atom Count23
Formal Charge0
Complexity487.000
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
Lösungsrechner
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