Alternatived Products of [ 10402-53-6 ]
Product Details of [ 10402-53-6 ]
CAS No. : 10402-53-6
MDL No. : MFCD01695215
Formula :
C24 H34 Cl2 N2 O2
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