trans-(S)-2-[[3,5-Dimethyl-4-(4-hydroxy-3-isopropylbenzyl)phenoxy]methyl]-4-(3-chlorophenyl)-2-oxo-[1,3,2]dioxaphosphorinane

CAS Registry Number®

852948-13-1

CAS Name

trans-(S)-2-[[3,5-Dimethyl-4-(4-hydroxy-3-isopropylbenzyl)phenoxy]methyl]-4-(3-chlorophenyl)-2-oxo-[1,3,2]dioxaphosphorinane

Molecular Formula

C28H32ClO5P

Molecular Mass

514.98

Cite this Page

trans-(S)-2-[[3,5-Dimethyl-4-(4-hydroxy-3-isopropylbenzyl)phenoxy]methyl]-4-(3-chlorophenyl)-2-oxo-[1,3,2]dioxaphosphorinane.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=852948-13-1 (retrieved 2024-11-22) (CAS RN: 852948-13-1).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    77-82 °C

Source(s)

Other Names and Identifiers

InChI

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

InChIKey

InChIKey=LGGPZDRLTDGYSQ-JADSYQMUSA-N

SMILES

C(OC1=CC(C)=C(CC2=CC(C(C)C)=C(O)C=C2)C(C)=C1)P3(=O)O[C@@H](CCO3)C4=CC(Cl)=CC=C4

Canonical SMILES

O=P1(OCCC(O1)C=2C=CC=C(Cl)C2)COC=3C=C(C(=C(C3)C)CC4=CC=C(O)C(=C4)C(C)C)C

Other Names for this Substance

  • Phenol, 4-[[4-[[(2R,4S)-4-(3-chlorophenyl)-2-oxido-1,3,2-dioxaphosphorinan-2-yl]methoxy]-2,6-dimethylphenyl]methyl]-2-(1-methylethyl)-
  • 4-[[4-[[(2R,4S)-4-(3-Chlorophenyl)-2-oxido-1,3,2-dioxaphosphorinan-2-yl]methoxy]-2,6-dimethylphenyl]methyl]-2-(1-methylethyl)phenol
  • trans-(S)-2-[[3,5-Dimethyl-4-(4-hydroxy-3-isopropylbenzyl)phenoxy]methyl]-4-(3-chlorophenyl)-2-oxo-[1,3,2]dioxaphosphorinane
  • MB 07811
  • VK 2809

CAS INSIGHTSTM
Targeted protein degrader structure, illustration