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[ CAS No. 10402-53-6 ] {[proInfo.proName]}

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Cat. No.: {[proInfo.prAm]}
Chemical Structure| 10402-53-6
Chemical Structure| 10402-53-6
Structure of 10402-53-6 * Storage: {[proInfo.prStorage]}
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Product Details of [ 10402-53-6 ]

CAS No. :10402-53-6 MDL No. :MFCD01695215
Formula : C24H34Cl2N2O2 Boiling Point : -
Linear Structure Formula :- InChI Key :BPMQVOKMMQFZGV-UHFFFAOYSA-N
M.W : 453.45 Pubchem ID :73356
Synonyms :
Eprazinone (hydrochloride);NSC 317935;Eprazinone dihydrochloride

Calculated chemistry of [ 10402-53-6 ]

Physicochemical Properties

Num. heavy atoms : 30
Num. arom. heavy atoms : 12
Fraction Csp3 : 0.46
Num. rotatable bonds : 9
Num. H-bond acceptors : 4.0
Num. H-bond donors : 0.0
Molar Refractivity : 135.72
TPSA : 32.78 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 : Yes
Log Kp (skin permeation) : -5.3 cm/s

Lipophilicity

Log Po/w (iLOGP) : 0.0
Log Po/w (XLOGP3) : 5.31
Log Po/w (WLOGP) : 4.42
Log Po/w (MLOGP) : 2.94
Log Po/w (SILICOS-IT) : 4.34
Consensus Log Po/w : 3.4

Druglikeness

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

Water Solubility

Log S (ESOL) : -5.7
Solubility : 0.000908 mg/ml ; 0.000002 mol/l
Class : Moderately soluble
Log S (Ali) : -5.75
Solubility : 0.000807 mg/ml ; 0.00000178 mol/l
Class : Moderately soluble
Log S (SILICOS-IT) : -6.41
Solubility : 0.000177 mg/ml ; 0.00000039 mol/l
Class : Poorly soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 0.0 alert
Leadlikeness : 3.0
Synthetic accessibility : 3.71

Safety of [ 10402-53-6 ]

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 [ 10402-53-6 ]

* 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 [ 10402-53-6 ]

[ 10402-53-6 ] Synthesis Path-Downstream   1~1

  • 1
  • [ 10402-53-6 ]
  • [ 3481-02-5 ]
  • [ 1760-19-6 ]
  • 2,2'-Phenylaethoxy-N,N'-diaethylpiperazin [ No CAS ]
  • [ 77822-11-8 ]
  • [ 6722-51-6 ]
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Reason: Free-salt