p-hydroxyatorvastatin - Moligand™ , CAS No.214217-88-6

CAS: 214217-88-6 Cat. No.: P612825 Peso molecular: 574.6
Disponible para pedir
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.
Synonyms
PD 142542 | Parahydroxyatorvastatin | 1H-PYRROLE-1-HEPTANOIC ACID, 2-(4-FLUOROPHENYL)-.BETA.,.DELTA.-DIHYDROXY-4-(((4-HYDROXYPHENYL)AMINO)CARBONYL)-5-(1-METHYLETHYL)-3-PHENYL-, (.BETA.R,.DELTA.R)- | CHEBI:189720 | 9Q2QX99L5W | BMS 241423-01 | Q27088372 |
Storage
Room temperature
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Size
Estado
Price
Qty
5mg
P612825-5mg
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.
1.000,90US$
25mg
P612825-25mg
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.

1.714,90US$

2.000,90US$
Guardar 286,00 US$ (14.29%)
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Why this grade

Moligand™ Moligand™ for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

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Storage & shipping

Room temperature Ships 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

Sinónimos
PD 142542 | Parahydroxyatorvastatin | 1H-PYRROLE-1-HEPTANOIC ACID, 2-(4-FLUOROPHENYL)-.BETA., .DELTA.-DIHYDROXY-4-(((4-HYDROXYPHENYL)AMINO)CARBONYL)-5-(1-METHYLETHYL)-3-PHENYL-, (.BETA.R, .DELTA.R)- | CHEBI:189720 | 9Q2QX99L5W | BMS 241423-01 | Q27088372 |
Especificaciones y pureza
Moligand™
Condiciones de almacenamiento de almacenamiento
Room temperature
Grado
Moligand™
Nombres e identificadores
Sonrisas canónicasCC(C)C1=C(C(=C(N1CCC(CC(CC(=O)O)O)O)C2=CC=C(C=C2)F)C3=CC=CC=C3)C(=O)NC4=CC=C(C=C4)O
IUPAC Name(3R,5R)-7-[2-(4-fluorophenyl)-4-[(4-hydroxyphenyl)carbamoyl]-3-phenyl-5-propan-2-ylpyrrol-1-yl]-3,5-dihydroxyheptanoic acid
InChIKeySOZOATLLFFVAPM-KAYWLYCHSA-N
INCHI1S/C33H35FN2O6/c1-20(2)31-30(33(42)35-24-12-14-25(37)15-13-24)29(21-6-4-3-5-7-21)32(22-8-10-23(34)11-9-22)36(31)17-16-26(38)18-27(39)19-28(40)41/h3-15,20,26-27,37-39H,16-19H2,1-2H3,(H,35,42)(H,40,41)/t26-,27-/m1/s1
Isómeros SMILES CC(C)C1=C(C(=C(N1CC[C@H](C[C@H](CC(=O)O)O)O)C2=CC=C(C=C2)F)C3=CC=CC=C3)C(=O)NC4=CC=C(C=C4)O
CAS alternativo 214217-88-6
Términos de entrada MeSH 4-hydroxy-atorvastatin;4-hydroxyatorvastatin
Peso molecular 574.6
Reaxy-Rn 14873250
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=14873250&ln=

Documentation

📋 Safety Data Sheet (SDS)

Comprehensive hazard, handling, storage, and regulatory compliance document.

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✅ Certificate of Analysis (COA)

Lot-specific quality data. Enter your lot number to retrieve the exact COA.

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📊 Datasheet

Quick-reference summary of product specifications and applications.

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🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

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Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassOrganoheterocyclic compounds
ClasePyrroles
SubclassSubstituted pyrroles
Intermediate Tree Nodes Phenylpyrroles
Direct ParentDiphenylpyrroles
Alternative Parents Aromatic anilides  Medium-chain hydroxy acids and derivatives  Medium-chain fatty acids  Pyrrole carboxamides  Beta hydroxy acids and derivatives  Fluorobenzenes  Halogenated fatty acids  Heterocyclic fatty acids  Hydroxy fatty acids  1-hydroxy-2-unsubstituted benzenoids  Aryl fluorides  Heteroaromatic compounds  Vinylogous amides  Secondary carboxylic acid amides  Secondary alcohols  Azacyclic compounds  Monocarboxylic acids and derivatives  Carboxylic acids  Carbonyl compounds  Hydrocarbon derivatives  Organic oxides  Organofluorides  Organonitrogen compounds  
Molecular FrameworkAromatic heteromonocyclic compounds
Substituents 2,3-diphenylpyrrole - Aromatic anilide - Medium-chain hydroxy acid - Pyrrole-3-carboxamide - Pyrrole-3-carboxylic acid or derivatives - Medium-chain fatty acid - Hydroxy fatty acid - Phenol - 1-hydroxy-2-unsubstituted benzenoid - Heterocyclic fatty acid - Halogenated fatty acid - Halobenzene - Fluorobenzene - Beta-hydroxy acid - Monocyclic benzene moiety - Benzenoid - Aryl halide - Fatty acid - Fatty acyl - Aryl fluoride - Hydroxy acid - Heteroaromatic compound - Vinylogous amide - Carboxamide group - Secondary carboxylic acid amide - Secondary alcohol - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Carboxylic acid - Azacycle - Alcohol - Organic nitrogen compound - Organohalogen compound - Organofluoride - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Aromatic heteromonocyclic compound
DescripciónThis compound belongs to the class of organic compounds known as diphenylpyrroles. These are aromatic heterocyclic compounds with a structure based on a pyrrole ring linked to exactly two phenyl groups.
External Descriptors Not available
Estructura 3D
Modelo de Estructura Química Interactiva





Certificados (CoA, COO, BSE/TSE y tabla de análisis)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Propiedades químicas y físicas
Peso molecular574.600 g/mol
XLogP34.600
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count7
Rotatable Bond Count12
Exact Mass574.248 Da
Monoisotopic Mass574.248 Da
Topological Polar Surface Area132.000 Ų
Heavy Atom Count42
Formal Charge0
Complexity853.000
Isotope Atom Count0
Defined Atom Stereocenter Count2
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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