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[ CAS No. 32634-68-7 ] {[proInfo.proName]}

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Chemical Structure| 32634-68-7
Chemical Structure| 32634-68-7
Structure of 32634-68-7 * Storage: {[proInfo.prStorage]}

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Product Details of [ 32634-68-7 ]

CAS No. :32634-68-7 MDL No. :MFCD00008552
Formula : C20H18O8 Boiling Point : -
Linear Structure Formula :- InChI Key :CMIBUZBMZCBCAT-HOTGVXAUSA-N
M.W : 386.35 Pubchem ID :263211
Synonyms :
Chemical Name :Di-p-toluoyl-D-tartaric Acid

Calculated chemistry of [ 32634-68-7 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 28
Num. arom. heavy atoms : 12
Fraction Csp3 : 0.2
Num. rotatable bonds : 9
Num. H-bond acceptors : 8.0
Num. H-bond donors : 2.0
Molar Refractivity : 96.42
TPSA : 127.2 ?2

Pharmacokinetics

GI absorption : High
BBB permeant : No
P-gp substrate : Yes
CYP1A2 inhibitor : No
CYP2C19 inhibitor : No
CYP2C9 inhibitor : No
CYP2D6 inhibitor : No
CYP3A4 inhibitor : No
Log Kp (skin permeation) : -6.31 cm/s

Lipophilicity

Log Po/w (iLOGP) : 1.96
Log Po/w (XLOGP3) : 3.31
Log Po/w (WLOGP) : 2.22
Log Po/w (MLOGP) : 2.38
Log Po/w (SILICOS-IT) : 2.51
Consensus Log Po/w : 2.48

Druglikeness

Lipinski : 0.0
Ghose : None
Veber : 0.0
Egan : 0.0
Muegge : 0.0
Bioavailability Score : 0.56

Water Solubility

Log S (ESOL) : -4.04
Solubility : 0.0349 mg/ml ; 0.0000904 mol/l
Class : Moderately soluble
Log S (Ali) : -5.66
Solubility : 0.000851 mg/ml ; 0.0000022 mol/l
Class : Moderately soluble
Log S (SILICOS-IT) : -3.85
Solubility : 0.0552 mg/ml ; 0.000143 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 1.0 alert
Leadlikeness : 2.0
Synthetic accessibility : 3.6

Safety of [ 32634-68-7 ]

Signal Word:Warning Class:N/A
Precautionary Statements:P261-P305+P351+P338 UN#:N/A
Hazard Statements:H315-H319-H335 Packing Group:N/A
GHS Pictogram:

Application In Synthesis of [ 32634-68-7 ]

* 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 [ 32634-68-7 ]

[ 32634-68-7 ] Synthesis Path-Downstream   1~1

  • 1
  • [ 10421-85-9 ]
  • [ 32634-68-7 ]
  • C8H6ClO3(1-)*C20H17O8(1-)*Ca(2+) [ No CAS ]
  • C8H6ClO3(1-)*C20H17O8(1-)*Ca(2+) [ No CAS ]
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