Mb07811 - ≥99% , CAS No.852948-13-1

CAS: 852948-13-1 Cat. No.: M1024385 Fórmula: C₂₈H₃₂ClO₅P Peso molecular: 515 PubChem CID: 15942005

GRADE & PURITY ≥99%

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

Especificaciones y pureza

≥99%

Condiciones de almacenamiento de almacenamiento

Store at -20°C

Enviado en

Ice chest + Ice pads

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Tipo de acción

AGONIST

Pureza

≥99%

Propiedades del producto

• ALogP: 6.9

Nombres e identificadores

• Sonrisas canónicas: CC1=CC(=CC(=C1CC2=CC(=C(C=C2)O)C(C)C)C)OCP3(=O)OCCC(O3)C4=CC(=CC=C4)Cl
• IUPAC Name: 4-[[4-[[(2R,4S)-4-(3-chlorophenyl)-2-oxo-1,3,2\u03bb5-dioxaphosphinan-2-yl]methoxy]-2,6-dimethylphenyl]methyl]-2-propan-2-ylphenol
• InChIKey: LGGPZDRLTDGYSQ-JADSYQMUSA-N
• INCHI: 1S/C28H32ClO5P/c1-18(2)25-14-21(8-9-27(25)30)15-26-19(3)12-24(13-20(26)4)32-17-35(31)33-11-10-28(34-35)22-6-5-7-23(29)16-22/h5-9,12-14,16,18,28,30H,10-11,15,17H2,1-4H3/t28-,35+/m0/s1
• Isómeros SMILES: CC1=CC(=CC(=C1CC2=CC(=C(C=C2)O)C(C)C)C)OC[P@@]3(=O)OCC[C@H](O3)C4=CC(=CC=C4)Cl
• CAS alternativo: 852948-13-1
• PubChem CID: 15942005
• Términos de entrada MeSH: 2-((3,5-dimethyl-4-(4'-hydroxy-3'-isopropylbenzyl)phenoxy)methyl)-4-(3-chlorophenyl)-2-oxido(1,3,2)dioxaphosphonane;MB 07811;MB-07811;MB07811;VK2809
• Peso molecular: 515

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Benzene and substituted derivatives
      • Subclass Diphenylmethanes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Diphenylmethanes
• Intermediate Tree Nodes: Not available
• Direct Parent: Diphenylmethanes
• Alternative Parents: Cumenes Phenylpropanes m-Xylenes Phenoxy compounds Phenol ethers 1-hydroxy-2-unsubstituted benzenoids Chlorobenzenes Dialkyl alkylphosphonates Aryl chlorides Phosphonic acid esters Oxacyclic compounds Organochlorides Organic oxides Hydrocarbon derivatives Organooxygen compounds Organophosphorus compounds
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Diphenylmethane - Cumene - Phenylpropane - Phenoxy compound - Phenol ether - M-xylene - Xylene - Chlorobenzene - 1-hydroxy-2-unsubstituted benzenoid - Halobenzene - Dialkyl alkylphosphonate - Phenol - Phosphonic acid diester - Aryl chloride - Aryl halide - Phosphonic acid ester - Organophosphonic acid derivative - Organoheterocyclic compound - Oxacycle - Organophosphorus compound - Organooxygen compound - Organochloride - Organohalogen compound - Organic oxide - Organic oxygen compound - Hydrocarbon derivative - Aromatic heteromonocyclic compound
• Descripción: This 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

Data sources

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

Propiedades químicas y físicas

• Peso molecular: 515.000 g/mol
• XLogP3: 6.900
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 7
• Exact Mass: 514.168 Da
• Monoisotopic Mass: 514.168 Da
• Topological Polar Surface Area: 65.000 Ų
• Heavy Atom Count: 35
• Formal Charge: 0
• Complexity: 707.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 2
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1