Ch 55 - ≥98%(HPLC) , CAS No.110368-33-7

CAS: 110368-33-7 Cat. No.: C286965 Molecular Weight: 364.47

COA

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Ch 55 - ≥98%(HPLC) CAS No(110368-33-7) by Aladdin Scientific

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AVAILABLE TO ORDER

GRADE & PURITY ≥98%(HPLC)

Synonyms

SCHEMBL2307737 | Benzoic acid, 4-(3-(3,5-bis(1,1-dimethylethyl)phenyl)-3-oxo-1-propenyl)- | 4-[(E)-3-(3,5-ditert-butylphenyl)-3-oxo-prop-1-enyl]benzoic acid | 4-[(E)-3-(3,5-ditert-butylphenyl)-3-oxoprop-1-enyl]benzoic acid | CH55 | Ch-55 | J-002418 | HMS3

Storage

Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Specifications Names and Identifiers Documentation Advanced Data Taxonomic Classification 3D Structure Associated Targets(Human) Associated Targets(non-human) Mechanisms of Action Certificates（CoA,COO,BSE/TSE and Analysis Chart) Chemical and Physical Properties Solution Calculators Reviews

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Why this grade

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

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Storage & shipping

Store at -20°C,Argon charged Ships Ice chest + Ice pads 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

SCHEMBL2307737 | Benzoic acid, 4-(3-(3, 5-bis(1, 1-dimethylethyl)phenyl)-3-oxo-1-propenyl)- | 4-[(E)-3-(3, 5-ditert-butylphenyl)-3-oxo-prop-1-enyl]benzoic acid | 4-[(E)-3-(3, 5-ditert-butylphenyl)-3-oxoprop-1-enyl]benzoic acid | CH55 | Ch-55 | J-002418 | HMS3

Specifications & Purity

≥98%(HPLC)

Biochemical and Physiological Mechanisms

Highly potent synthetic retinoid that has high affinity for RAR-αand RAR-βreceptors and low affinity for cellular retinoic acid binding protein (CRABP). Inhibits rabbit tracheal epithelial cell differentiation by inhibiting transglutaminase and increasing

Storage

Store at -20°C, Argon charged

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Action Type

AGONIST

Purity

≥98%(HPLC)

Names and Identifiers

Canonical Smiles	CC(C)(C)C1=CC(=CC(=C1)C(=O)C=CC2=CC=C(C=C2)C(=O)O)C(C)(C)C
IUPAC Name	4-[(E)-3-(3,5-ditert-butylphenyl)-3-oxoprop-1-enyl]benzoic acid
InChIKey	FOUVTBKPJRMLPE-FMIVXFBMSA-N
INCHI	1S/C24H28O3/c1-23(2,3)19-13-18(14-20(15-19)24(4,5)6)21(25)12-9-16-7-10-17(11-8-16)22(26)27/h7-15H,1-6H3,(H,26,27)/b12-9+
Isomeric SMILES	CC(C)(C)C1=CC(=CC(=C1)C(=O)/C=C/C2=CC=C(C=C2)C(=O)O)C(C)(C)C
Molecular Weight	364.47
Reaxy-Rn	35863072
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=35863072&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

Kingdom Organic compounds
- Superclass Phenylpropanoids and polyketides
  - Class Linear 1,3-diarylpropanoids
    - Subclass Chalcones and dihydrochalcones

Kingdom	Organic compounds
Superclass	Phenylpropanoids and polyketides
Class	Linear 1,3-diarylpropanoids
Subclass	Chalcones and dihydrochalcones
Intermediate Tree Nodes	Not available
Direct Parent	Retrochalcones
Alternative Parents	Phenylpropanes Benzoic acids Styrenes Benzoyl derivatives Aryl ketones Enones Acryloyl compounds Monocarboxylic acids and derivatives Carboxylic acids Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Retrochalcone - Benzoic acid or derivatives - Benzoic acid - Phenylpropane - Benzoyl - Aryl ketone - Styrene - Monocyclic benzene moiety - Benzenoid - Enone - Acryloyl-group - Alpha,beta-unsaturated ketone - Ketone - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as retrochalcones. These are a form of normal chalcones that are structurally distinguished by the lack of oxygen functionalities at the C2'- and C6'-positions.
External Descriptors	Not available
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61. DOI: 10.1186/s13321-016-0174-y

3D Structure

Associated Targets(Human)

ALOX15B Tchem Arachidonate 15-lipoxygenase, type II (7244 Activities)

Discover Target: ALOX15B

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

ALOX15 Tchem Arachidonate 15-lipoxygenase (7108 Activities)

Discover Target: ALOX15

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

CASP7 Tchem Caspase-7 (3146 Activities)

Discover Target: CASP7

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

CYP3A4 Tclin Cytochrome P450 3A4 (53859 Activities)

Discover Target: CYP3A4

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

TP53 Tchem Cellular tumor antigen p53 (48468 Activities)

Discover Target: TP53

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

A498 (42825 Activities)

Lot Number	Certificate Type	Date	Item
K2209318	Certificate of Analysis	Aug 18, 2025	C286965
K2209317	Certificate of Analysis	Aug 18, 2025	C286965
K2209316	Certificate of Analysis	Aug 18, 2025	C286965
K2209315	Certificate of Analysis	Aug 18, 2025	C286965
K2209314	Certificate of Analysis	Aug 18, 2025	C286965
C2503376	Certificate of Analysis	Jul 25, 2022	C286965

Solubility	Solvent:ethanol, Max Conc. mg/mL: 18.22, Max Conc. mM: 50; Solvent:DMSO, Max Conc. mg/mL: 36.45, Max Conc. mM: 100
Sensitivity	light sensitive
Molecular Weight	364.500 g/mol
XLogP3	6.600
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	6
Exact Mass	364.204 Da
Monoisotopic Mass	364.204 Da
Topological Polar Surface Area	54.400 Å²
Heavy Atom Count	27
Formal Charge	0
Complexity	531.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	1
Covalently-Bonded Unit Count	1