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[ CAS No. 93379-48-7 ] {[proInfo.proName]}

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Chemical Structure| 93379-48-7
Chemical Structure| 93379-48-7
Structure of 93379-48-7 * Storage: {[proInfo.prStorage]}

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Quality Control of [ 93379-48-7 ]

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Product Details of [ 93379-48-7 ]

CAS No. :93379-48-7 MDL No. :MFCD00064467
Formula : C31H30O4 Boiling Point : No data available
Linear Structure Formula :(CH3)2CO2(CH)2(C(OH)(C6H5)2)2 InChI Key :OWVIRVJQDVCGQX-VSGBNLITSA-N
M.W : 466.57 Pubchem ID :2725026
Synonyms :
Chemical Name :(4R,5R)-2,2-Dimethyl-alpha,alpha,alpha',alpha'-tetraphenyldioxolane-4,5-dimethanol

Calculated chemistry of [ 93379-48-7 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 35
Num. arom. heavy atoms : 24
Fraction Csp3 : 0.23
Num. rotatable bonds : 6
Num. H-bond acceptors : 4.0
Num. H-bond donors : 2.0
Molar Refractivity : 135.89
TPSA : 58.92 ?2

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) : -5.45 cm/s

Lipophilicity

Log Po/w (iLOGP) : 4.2
Log Po/w (XLOGP3) : 5.21
Log Po/w (WLOGP) : 5.16
Log Po/w (MLOGP) : 3.95
Log Po/w (SILICOS-IT) : 5.6
Consensus Log Po/w : 4.82

Druglikeness

Lipinski : 0.0
Ghose : None
Veber : 0.0
Egan : 0.0
Muegge : 1.0
Bioavailability Score : 0.55

Water Solubility

Log S (ESOL) : -6.13
Solubility : 0.000349 mg/ml ; 0.000000747 mol/l
Class : Poorly soluble
Log S (Ali) : -6.19
Solubility : 0.000298 mg/ml ; 0.000000638 mol/l
Class : Poorly soluble
Log S (SILICOS-IT) : -9.37
Solubility : 0.000000201 mg/ml ; 0.0000000004 mol/l
Class : Poorly soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 0.0 alert
Leadlikeness : 2.0
Synthetic accessibility : 4.97

Safety of [ 93379-48-7 ]

Signal Word:Warning Class:
Precautionary Statements:P261-P280-P301+P312-P302+P352-P305+P351+P338 UN#:
Hazard Statements:H302-H315-H319-H335 Packing Group:
GHS Pictogram:

Application In Synthesis of [ 93379-48-7 ]

* 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 [ 93379-48-7 ]

[ 93379-48-7 ] Synthesis Path-Downstream   1~3

  • 1
  • [ 7564-51-4 ]
  • [ 93379-48-7 ]
  • [ 93222-42-5 ]
  • [(4S,5S)-5-(Hydroxy-diphenyl-methyl)-2,2-dimethyl-[1,3]dioxolan-4-yl]-diphenyl-methanol; compound with (S)-3-methyl-1-phenyl-2,5-dihydro-phosphole 1-oxide [ No CAS ]
  • [(4R,5R)-5-(Hydroxy-diphenyl-methyl)-2,2-dimethyl-[1,3]dioxolan-4-yl]-diphenyl-methanol; compound with (R)-3-methyl-1-phenyl-2,5-dihydro-phosphole 1-oxide [ No CAS ]
  • 2
  • [ 52430-43-0 ]
  • [ 93379-48-7 ]
  • (1R,7R)-9,9-dimethyl-4-(N-methyl-2-quinolylamino)-2,2,6,6-tetraphenyl-3,5,8,10-tetraoxa-4-phosphabicyclo[5.3.0]decane [ No CAS ]
  • 3
  • [ 108-86-1 ]
  • ethyl (4R,5R)-5-benzoyl-2,2-dimethyl-1,3-dioxolane-4-carboxylate [ No CAS ]
  • [ 93379-48-7 ]
  • [ 93222-42-5 ]
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[ 93379-48-7 ]

Chemical Structure| 93379-49-8

A960844[ 93379-49-8 ]

((4S,5S)-2,2-dimethyl-1,3-dioxolane-4,5-diyl)bis(diphenylmethanol)

Reason: Optical isomers

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