EC-23 - ≥98% , CAS No.104561-41-3

CAS: 104561-41-3 Cat. No.: E275249 Molecular Weight: 332.44 EC Number: 111-831-4
AVAILABLE TO ORDER
GRADE & PURITY ≥98%
Synonyms
AGN-190205 | BASF-46928 | EX-A4972 | 4-(5,5,8,8-tetramethyl-5,6,7,8-tetrahydronaphthalen-2-ylethynyl)benzoic acid | OQVLOWLEEHYBJH-UHFFFAOYSA-N | AKOS000129427 | NSC-404690 | BASF-46928AGN 190205 | UNII-VSDTYDJDJJ | AGN 190205;BASF-46928 | MS-25012 | 4-[2
Storage
Store at -20°C,Desiccated
Shipped In
Ice chest + Ice pads
 ·  off list, applied to all prices below.
Size
Status
Price
Qty
1mg
E275249-1mg
3

$20.90

$31.90
Save $11.00 (34.48%)
5mg
E275249-5mg
3

$75.90

$113.90
Save $38.00 (33.36%)
10mg
E275249-10mg
2

$134.90

$202.90
Save $68.00 (33.51%)
25mg
E275249-25mg
2

$267.90

$401.90
Save $134.00 (33.34%)
50mg
E275249-50mg
2

$453.90

$680.90
Save $227.00 (33.34%)
100mg
E275249-100mg
2

$770.90

$1,156.90
Save $386.00 (33.37%)
250mg
E275249-250mg
2

$1,309.90

$1,964.90
Save $655.00 (33.34%)
Enter a quantity for the sizes you want to add.
🧪

Why this grade

≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

🌡

Storage & shipping

Store at -20°C,Desiccated 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

Synonyms
AGN-190205 | BASF-46928 | EX-A4972 | 4-(5, 5, 8, 8-tetramethyl-5, 6, 7, 8-tetrahydronaphthalen-2-ylethynyl)benzoic acid | OQVLOWLEEHYBJH-UHFFFAOYSA-N | AKOS000129427 | NSC-404690 | BASF-46928AGN 190205 | UNII-VSDTYDJDJJ | AGN 190205;BASF-46928 | MS-25012 | 4-[2
Specifications & Purity
≥98%
Biochemical and Physiological Mechanisms
Photostable synthetic retinoid. All- trans retinoic acid (ATRA) analog. Displays similar biological activity to ATRA. Potently induces stem cell differentiation and enables improved consistency of neuronal differentiation.
Storage
Store at -20°C, Desiccated
Shipped In
Ice chest + Ice pads
This product requires cold chain shipping. Ground and other economy services are not available.
Note
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.
Purity
≥98%
Names and Identifiers
Pubchem Sid504765391
Pubchem Sid Urlhttps://pubchem.ncbi.nlm.nih.gov/substance/504765391
Canonical SmilesCC1(CCC(C2=C1C=CC(=C2)C#CC3=CC=C(C=C3)C(=O)O)(C)C)C
IUPAC Name4-[2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)ethynyl]benzoic acid
InChIKeyOQVLOWLEEHYBJH-UHFFFAOYSA-N
INCHI1S/C23H24O2/c1-22(2)13-14-23(3,4)20-15-17(9-12-19(20)22)6-5-16-7-10-18(11-8-16)21(24)25/h7-12,15H,13-14H2,1-4H3,(H,24,25)
Isomeric SMILES CC1(CCC(C2=C1C=CC(=C2)C#CC3=CC=C(C=C3)C(=O)O)(C)C)C
Molecular Weight 332.44
Reaxy-Rn 9219982
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=9219982&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

KingdomOrganic compounds
SuperclassBenzenoids
ClassTetralins
SubclassNot available
Intermediate Tree Nodes Not available
Direct ParentTetralins
Alternative Parents Benzoic acids  Benzoyl derivatives  Carboxylic acids  Organooxygen compounds  Organic oxides  Hydrocarbon derivatives  
Molecular FrameworkAromatic homopolycyclic compounds
Substituents Tetralin - Benzoic acid - Benzoic acid or derivatives - Benzoyl - Monocyclic benzene moiety - Carboxylic acid - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Aromatic homopolycyclic compound
DescriptionThis compound belongs to the class of organic compounds known as tetralins. These are polycyclic aromatic compounds containing a tetralin moiety, which consists of a benzene fused to a cyclohexane.
External Descriptors Not available
3D Structure
Interactive Chemical Structure Model





Associated Targets(Human)
RARG Tclin Retinoic acid receptor gamma (1 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
CRABP2 Tchem Cellular retinoic acid-binding protein 2 (1 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
RARB Tclin Retinoic acid receptor beta (1 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
RARA Tclin Retinoic acid receptor alpha (1 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
RARA Tclin Retinoic acid receptor alpha (1324 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
RARG Tclin Retinoic acid receptor gamma (1154 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
RXRG Tclin Retinoid X receptor gamma (646 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
RARB Tclin Retinoic acid receptor beta (1232 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
RXRA Tclin Retinoid X receptor alpha (3637 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
RXRB Tclin Retinoid X receptor beta (726 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CRABP2 Tchem Cellular retinoic acid-binding protein II (10 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Associated Targets(non-human)
Hdac6 Histone deacetylase 6 (222 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
rep Replicase polyprotein 1ab (378 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:

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

8 results found

Lot NumberCertificate TypeDateItem
K2211182Certificate of AnalysisOct 29, 2025 E275249
K2211183Certificate of AnalysisOct 29, 2025 E275249
K2211184Certificate of AnalysisOct 29, 2025 E275249
K2211185Certificate of AnalysisOct 29, 2025 E275249
K2211186Certificate of AnalysisOct 29, 2025 E275249
K2211202Certificate of AnalysisOct 29, 2025 E275249
K2211206Certificate of AnalysisOct 29, 2025 E275249
J2516203Certificate of AnalysisOct 27, 2025 E275249
Chemical and Physical Properties
SolubilitySoluble in DMSO to 50 mM and in ethanol to 10 mM
Molecular Weight332.400 g/mol
XLogP36.600
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Exact Mass332.178 Da
Monoisotopic Mass332.178 Da
Topological Polar Surface Area37.300 Ų
Heavy Atom Count25
Formal Charge0
Complexity565.000
Isotope Atom Count0
Defined Atom Stereocenter Count0
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
Reviews

Customer Reviews

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.