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hydroxyphenyl

[ CAS No. 77-09-8 ] {[proInfo.proName]}

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Cat. No.: {[proInfo.prAm]}
Chemical Structure| 77-09-8
Chemical Structure| 77-09-8
Structure of 77-09-8 * Storage: {[proInfo.prStorage]}

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Quality Control of [ 77-09-8 ]

COA NMR CNMR HPLC LC-MS

Related Doc. of [ 77-09-8 ]

SDS Specification
Alternatived Products of [ 77-09-8 ]
Product Citations

Product Details of [ 77-09-8 ]

CAS No. :77-09-8 MDL No. :MFCD00005913
Formula : C20H14O4 Boiling Point : -
Linear Structure Formula :(HOC6H4)2C8H4O(O) InChI Key :KJFMBFZCATUALV-UHFFFAOYSA-N
M.W : 318.32 Pubchem ID :4764
Synonyms :
Phthalimetten
Chemical Name :3,3-Bis(4-hydroxyphenyl)isobenzofuran-1(3H)-one

Calculated chemistry of [ 77-09-8 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 24
Num. arom. heavy atoms : 18
Fraction Csp3 : 0.05
Num. rotatable bonds : 2
Num. H-bond acceptors : 4.0
Num. H-bond donors : 2.0
Molar Refractivity : 88.67
TPSA : 66.76 Ų

Pharmacokinetics

GI absorption : High
BBB permeant : Yes
P-gp substrate : Yes
CYP1A2 inhibitor : No
CYP2C19 inhibitor : No
CYP2C9 inhibitor : No
CYP2D6 inhibitor : Yes
CYP3A4 inhibitor : No
Log Kp (skin permeation) : -6.53 cm/s

Lipophilicity

Log Po/w (iLOGP) : 2.13
Log Po/w (XLOGP3) : 2.41
Log Po/w (WLOGP) : 3.45
Log Po/w (MLOGP) : 3.05
Log Po/w (SILICOS-IT) : 3.85
Consensus Log Po/w : 2.98

Druglikeness

Lipinski : 0.0
Ghose : None
Veber : 0.0
Egan : 0.0
Muegge : 0.0
Bioavailability Score : 0.55

Water Solubility

Log S (ESOL) : -3.75
Solubility : 0.056 mg/ml ; 0.000176 mol/l
Class : Soluble
Log S (Ali) : -3.45
Solubility : 0.112 mg/ml ; 0.000352 mol/l
Class : Soluble
Log S (SILICOS-IT) : -6.43
Solubility : 0.000118 mg/ml ; 0.000000372 mol/l
Class : Poorly soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 0.0 alert
Leadlikeness : 0.0
Synthetic accessibility : 2.86

Safety of [ 77-09-8 ]

Signal Word:Danger Class:N/A
Precautionary Statements:P201-P202-P264-P280-P302+P352-P308+P313-P332+P313-P362+P364-P405-P501 UN#:N/A
Hazard Statements:H315-H341-H350-H361 Packing Group:N/A
GHS Pictogram:

Application In Synthesis of [ 77-09-8 ]

* All experimental methods are cited from the reference, please refer to the original source for details. We do not guarantee the accuracy of the content in the reference.

  • Downstream synthetic route of [ 77-09-8 ]

[ 77-09-8 ] Synthesis Path-Downstream   1~6

  • 1
  • [ 7664-93-9 ]
  • [ 77-09-8 ]
  • [ 605-32-3 ]
  • [ 129-43-1 ]
Reference： [1]Chemische Berichte,1874,vol. 7,p. 972
  • 2
  • [ 77-09-8 ]
  • [ 342-25-6 ]
  • polymer; monomer(s): 2,4\-difluorobenzophenone; 3,3-bis(4\-hydroxyphenyl)phthalide [ No CAS ]
Reference： [1]Russian Chemical Bulletin,2001,vol. 50,p. 1208 - 1213
  • 3
  • [ 77-09-8 ]
  • [ 342-25-6 ]
  • [ 345-92-6 ]
  • polymer; monomer(s): 4,4\-difluorobenzophenone, 45 percent; 2,4\-difluorobenzophenone, 5 percent; 3,3-bis(4\-hydroxyphenyl)phthalide, 50 percent [ No CAS ]
Reference： [1]Russian Chemical Bulletin,2001,vol. 50,p. 1208 - 1213
  • 4
  • [ 77-09-8 ]
  • [ 342-25-6 ]
  • [ 345-92-6 ]
  • polymer; monomer(s): 4,4\-difluorobenzophenone, 48,5 percent; 2,4\-difluorobenzophenone, 1,5 percent; 3,3-bis(4\-hydroxyphenyl)phthalide, 50 percent [ No CAS ]
Reference： [1]Russian Chemical Bulletin,2001,vol. 50,p. 1208 - 1213
  • 5
  • [ 77-09-8 ]
  • [ 342-25-6 ]
  • [ 345-92-6 ]
  • polymer; monomer(s): 4,4\-difluorobenzophenone, 49 percent; 2,4\-difluorobenzophenone, 1 percent; 3,3-bis(4\-hydroxyphenyl)phthalide, 50 percent [ No CAS ]
Reference： [1]Russian Chemical Bulletin,2001,vol. 50,p. 1208 - 1213
  • 6
  • [ 77-09-8 ]
  • [ 342-25-6 ]
  • [ 345-92-6 ]
  • polymer; monomer(s): 4,4\-difluorobenzophenone, 49,5 percent; 2,4\-difluorobenzophenone, 0,5 percent; 3,3-bis(4\-hydroxyphenyl)phthalide, 50 percent [ No CAS ]
Reference： [1]Russian Chemical Bulletin,2001,vol. 50,p. 1208 - 1213

Tags: 77-09-8 synthesis path| 77-09-8 SDS| 77-09-8 COA| 77-09-8 purity| 77-09-8 application| 77-09-8 NMR| 77-09-8 COA| 77-09-8 structure

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Technical Information

• Baeyer-Villiger Oxidation • Barbier Coupling Reaction • Baylis-Hillman Reaction • Benzylic Oxidation • Birch Reduction • Blanc Chloromethylation • Bucherer-Bergs Reaction • Clemmensen Reduction • Corey-Bakshi-Shibata (CBS) Reduction • Corey-Chaykovsky Reaction • Fischer Indole Synthesis • Friedel-Crafts Reaction • Grignard Reaction • Henry Nitroaldol Reaction • Horner-Wadsworth-Emmons Reaction • Hydride Reductions • Hydrogenolysis of Benzyl Ether • Lawesson's Reagent • Leuckart-Wallach Reaction • McMurry Coupling • Meerwein-Ponndorf-Verley Reduction • Passerini Reaction • Paternò-Büchi Reaction • Petasis Reaction • Peterson Olefination • Pictet-Spengler Tetrahydroisoquinoline Synthesis • Preparation of Aldehydes and Ketones • Preparation of Alkylbenzene • Preparation of Amines • Prins Reaction • Reactions of Aldehydes and Ketones • Reactions of Amines • Reactions of Benzene and Substituted Benzenes • Reformatsky Reaction • Robinson Annulation • Schlosser Modification of the Wittig Reaction • Schmidt Reaction • Specialized Acylation Reagents-Ketenes • Stobbe Condensation • Tebbe Olefination • Ugi Reaction • Vilsmeier-Haack Reaction • Wittig Reaction • Wolff-Kishner Reduction
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