Axitirome , CAS No.156740-57-7

CAS: 156740-57-7 Cat. No.: A668108 Peso molecular: 453.5 PubChem CID: 166559
Disponible para pedir
Synonyms
Axitirome | UNII-V477CK910J | Cgs 26214 | Cgs-26214 | V477CK910J | Ethyl (+-)-((4-(3-((4-fluorophenyl)hydroxymethyl)-4-hydroxyphenoxy)-3,5-dimethylphenyl)amino)oxoacetate | Axitirome [USAN:INN] | AXITIROME [INN] | Axitirome (USAN/INN) | AXITIROME [USAN] |
Storage
Room temperature
 ·  off list, applied to all prices below.
Size
Estado
Price
Qty
1mg
A668108-1mg
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.

571,90US$

999,90US$
Guardar 428,00 US$ (42.80%)
5mg
A668108-5mg
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.

1.999,90US$

2.999,90US$
Guardar 1.000,00 US$ (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.

📋

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

Sinónimos
Axitirome | UNII-V477CK910J | Cgs 26214 | Cgs-26214 | V477CK910J | Ethyl (+-)-((4-(3-((4-fluorophenyl)hydroxymethyl)-4-hydroxyphenoxy)-3, 5-dimethylphenyl)amino)oxoacetate | Axitirome [USAN:INN] | AXITIROME [INN] | Axitirome (USAN/INN) | AXITIROME [USAN] |
Condiciones de almacenamiento de almacenamiento
Room temperature
Propiedades del producto
ALogP5.1
Nombres e identificadores
Sonrisas canónicasCCOC(=O)C(=O)NC1=CC(=C(C(=C1)C)OC2=CC(=C(C=C2)O)C(C3=CC=C(C=C3)F)O)C
IUPAC Nameethyl 2-[4-[3-[(4-fluorophenyl)-hydroxymethyl]-4-hydroxyphenoxy]-3,5-dimethylanilino]-2-oxoacetate
InChIKeyFUBBWDWIGBTUPQ-UHFFFAOYSA-N
INCHI1S/C25H24FNO6/c1-4-32-25(31)24(30)27-18-11-14(2)23(15(3)12-18)33-19-9-10-21(28)20(13-19)22(29)16-5-7-17(26)8-6-16/h5-13,22,28-29H,4H2,1-3H3,(H,27,30)
Isómeros SMILES CCOC(=O)C(=O)NC1=CC(=C(C(=C1)C)OC2=CC(=C(C=C2)O)C(C3=CC=C(C=C3)F)O)C
PubChem CID 166559
Peso molecular 453.5

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
ClaseBenzene and substituted derivatives
SubclassDiphenylmethanes
Intermediate Tree Nodes Not available
Direct ParentDiphenylmethanes
Alternative Parents Diphenylethers  Diarylethers  Alpha amino acids and derivatives  Anilides  m-Xylenes  Phenoxy compounds  Phenol ethers  N-arylamides  1-hydroxy-2-unsubstituted benzenoids  Fluorobenzenes  Aryl fluorides  Secondary carboxylic acid amides  Secondary alcohols  Carboxylic acid esters  Monocarboxylic acids and derivatives  Carbonyl compounds  Hydrocarbon derivatives  Aromatic alcohols  Organic oxides  Organofluorides  Organopnictogen compounds  
Molecular FrameworkAromatic homomonocyclic compounds
Substituents Diphenylmethane - Diphenylether - Diaryl ether - Alpha-amino acid or derivatives - Anilide - M-xylene - Xylene - Phenoxy compound - N-arylamide - Phenol ether - 1-hydroxy-2-unsubstituted benzenoid - Fluorobenzene - Halobenzene - Phenol - Aryl fluoride - Aryl halide - Carboxamide group - Carboxylic acid ester - Secondary carboxylic acid amide - Secondary alcohol - Monocarboxylic acid or derivatives - Ether - Carboxylic acid derivative - Organohalogen compound - Aromatic alcohol - Organic nitrogen compound - Alcohol - Organopnictogen compound - Organic oxygen compound - Carbonyl group - Hydrocarbon derivative - Organofluoride - Organonitrogen compound - Organooxygen compound - Organic oxide - Aromatic homomonocyclic compound
DescripciónThis compound belongs to the class of organic compounds known as diphenylmethanes. These are compounds containing a diphenylmethane moiety, which consists of a methane wherein two hydrogen atoms are replaced by two phenyl groups.
External Descriptors Not available
Estructura 3D
Modelo de Estructura Química Interactiva





Objetivos asociados (humanos)
THRA Tclin Thyroid hormone receptor alpha (1 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
THRB Tclin Thyroid hormone receptor beta (1 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
THRA Tclin Thyroid hormone receptor alpha (894 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
THRB Tclin Thyroid hormone receptor beta-1 (7926 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Mecanismos de acción
Certificados (CoA, COO, BSE/TSE y tabla de análisis)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Propiedades químicas y físicas
Peso molecular453.500 g/mol
XLogP35.100
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count7
Rotatable Bond Count8
Exact Mass453.159 Da
Monoisotopic Mass453.159 Da
Topological Polar Surface Area105.000 Ų
Heavy Atom Count33
Formal Charge0
Complexity643.000
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
Calculadoras de soluciones
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