4-(5-(3-Hydroxyphenyl)thiophen-2-yl)-2-methylphenol - ≥97% , CAS No.1122660-25-6

CAS: 1122660-25-6 Cat. No.: T691023 Peso molecular: 282.4 PubChem CID: 25192475
Disponible para pedir
GRADE & PURITY ≥97%
Storage
Room temperature
 ·  off list, applied to all prices below.
Size
Estado
Price
Qty
100mg
T691023-100mg
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.

246,90US$

370,90US$
Guardar 124,00 US$ (33.43%)
250mg
T691023-250mg
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.

394,90US$

592,90US$
Guardar 198,00 US$ (33.40%)
1g
T691023-1g
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.

985,90US$

1.478,90US$
Guardar 493,00 US$ (33.34%)
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Why this grade

≥97% 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

Especificaciones y pureza
≥97%
Condiciones de almacenamiento de almacenamiento
Room temperature
Tipo de acción
INHIBITOR
Pureza
≥97%
Nombres e identificadores
Sonrisas canónicasCC1=C(C=CC(=C1)C2=CC=C(S2)C3=CC(=CC=C3)O)O
IUPAC Name4-[5-(3-hydroxyphenyl)thiophen-2-yl]-2-methylphenol
InChIKeyICDRVGLMFQWTDX-UHFFFAOYSA-N
INCHI1S/C17H14O2S/c1-11-9-13(5-6-15(11)19)17-8-7-16(20-17)12-3-2-4-14(18)10-12/h2-10,18-19H,1H3
Isómeros SMILES CC1=C(C=CC(=C1)C2=CC=C(S2)C3=CC(=CC=C3)O)O
PubChem CID 25192475
Peso molecular 282.4

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
ClasePhenols
SubclassCresols
Intermediate Tree Nodes Not available
Direct ParentOrtho cresols
Alternative Parents Toluenes  2,5-disubstituted thiophenes  1-hydroxy-4-unsubstituted benzenoids  1-hydroxy-2-unsubstituted benzenoids  Heteroaromatic compounds  Organooxygen compounds  Hydrocarbon derivatives  
Molecular FrameworkAromatic heteromonocyclic compounds
Substituents O-cresol - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - 2,5-disubstituted thiophene - Toluene - Monocyclic benzene moiety - Heteroaromatic compound - Thiophene - Organoheterocyclic compound - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Aromatic heteromonocyclic compound
DescripciónThis compound belongs to the class of organic compounds known as ortho cresols. These are organic compounds containing an ortho-cresol moiety, which consists of a benzene bearing one hydroxyl group at ring positions 1 and 2, respectively.
External Descriptors Not available
Estructura 3D
Modelo de Estructura Química Interactiva





Objetivos asociados (humanos)
CYP2C19 Tchem Cytochrome P450 2C19 (1 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
CYP3A4 Tclin Cytochrome P450 3A4 (1 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
HSD17B1 Tchem Estradiol 17-beta-dehydrogenase 1 (1 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
ESR1 Tclin Estrogen receptor alpha (17718 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
ESR2 Tclin Estrogen receptor beta (9272 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CYP2D6 Tclin Cytochrome P450 2D6 (33882 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
HSD17B1 Tchem Estradiol 17-beta-dehydrogenase 1 (2224 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CYP2C19 Tchem Cytochrome P450 2C19 (29246 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
HSD17B2 Tchem Estradiol 17-beta-dehydrogenase 2 (1671 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CYP3A4 Tclin Cytochrome P450 3A4 (53859 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Objetivos asociados (no humanos)
Rattus norvegicus (775804 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 molecular282.400 g/mol
XLogP34.600
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Exact Mass282.071 Da
Monoisotopic Mass282.071 Da
Topological Polar Surface Area68.700 Ų
Heavy Atom Count20
Formal Charge0
Complexity322.000
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
Calculadoras de soluciones
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