Alternatived Products of [ 138372-67-5 ]
Product Details of [ 138372-67-5 ]
CAS No. : 138372-67-5
MDL No. : MFCD03093214
Formula :
C30 H30 N4 O2
Boiling Point :
-
Linear Structure Formula : -
InChI Key : FQJQNLKWTRGIEB-UHFFFAOYSA-N
M.W : 478.59 g/mol
Pubchem ID : 15320492
Synonyms :
UV : 292 nm (in THF)
FL : 347 nm (in THF)
Materials Type : Other OLED Materials
Calculated chemistry of [ 138372-67-5 ]
Physicochemical Properties
Num. heavy atoms :
36
Num. arom. heavy atoms :
28
Fraction Csp3 :
0.27
Num. rotatable bonds :
6
Num. H-bond acceptors :
6.0
Num. H-bond donors :
0.0
Molar Refractivity :
142.44
TPSA :
77.84 Ų
Pharmacokinetics
GI absorption :
Low
BBB permeant :
No
P-gp substrate :
Yes
CYP1A2 inhibitor :
No
CYP2C19 inhibitor :
Yes
CYP2C9 inhibitor :
No
CYP2D6 inhibitor :
No
CYP3A4 inhibitor :
Yes
Log Kp (skin permeation) :
-3.84 cm/s
Lipophilicity
Log Po/w (iLOGP) :
5.54
Log Po/w (XLOGP3) :
7.57
Log Po/w (WLOGP) :
7.72
Log Po/w (MLOGP) :
5.89
Log Po/w (SILICOS-IT) :
7.4
Consensus Log Po/w :
6.82
Druglikeness
Lipinski :
1.0
Ghose :
None
Veber :
0.0
Egan :
1.0
Muegge :
1.0
Bioavailability Score :
0.55
Water Solubility
Log S (ESOL) :
-7.76
Solubility :
0.0000084 mg/ml ; 0.0000000175 mol/l
Class :
Poorly soluble
Log S (Ali) :
-9.04
Solubility :
0.000000435 mg/ml ; 0.0000000009 mol/l
Class :
Poorly soluble
Log S (SILICOS-IT) :
-11.67
Solubility :
0.000000001 mg/ml ; 0.0 mol/l
Class :
Insoluble
Medicinal Chemistry
PAINS :
0.0 alert
Brenk :
0.0 alert
Leadlikeness :
2.0
Synthetic accessibility :
4.16
Safety of [ 138372-67-5 ]