Alternatived Products of [ 1306747-75-0 ]
Product Details of [ 1306747-75-0 ]
CAS No. : 1306747-75-0
MDL No. : N/A
Formula :
C48 H24 F24 O4 P2
Boiling Point :
-
Linear Structure Formula : -
InChI Key : YWKWEHAWGUXVST-UHFFFAOYSA-N
M.W : 1182.61 g/mol
Pubchem ID : 101794434
Synonyms :
Calculated chemistry of [ 1306747-75-0 ]
Physicochemical Properties
Num. heavy atoms :
78
Num. arom. heavy atoms :
36
Fraction Csp3 :
0.25
Num. rotatable bonds :
15
Num. H-bond acceptors :
28.0
Num. H-bond donors :
0.0
Molar Refractivity :
231.05
TPSA :
64.1 Ų
Pharmacokinetics
GI absorption :
Low
BBB permeant :
No
P-gp substrate :
Yes
CYP1A2 inhibitor :
No
CYP2C19 inhibitor :
No
CYP2C9 inhibitor :
No
CYP2D6 inhibitor :
No
CYP3A4 inhibitor :
Yes
Log Kp (skin permeation) :
-2.56 cm/s
Lipophilicity
Log Po/w (iLOGP) :
6.53
Log Po/w (XLOGP3) :
15.43
Log Po/w (WLOGP) :
23.78
Log Po/w (MLOGP) :
10.03
Log Po/w (SILICOS-IT) :
19.5
Consensus Log Po/w :
15.05
Druglikeness
Lipinski :
2.0
Ghose :
None
Veber :
1.0
Egan :
1.0
Muegge :
4.0
Bioavailability Score :
0.17
Water Solubility
Log S (ESOL) :
-16.24
Solubility :
0.0 mg/ml ; 5.69e-17 mol/l
Class :
Insoluble
Log S (Ali) :
-16.91
Solubility :
0.0 mg/ml ; 1.23e-17 mol/l
Class :
Insoluble
Log S (SILICOS-IT) :
-21.07
Solubility :
1e-18 mg/ml ; 8.49e-22 mol/l
Class :
Insoluble
Medicinal Chemistry
PAINS :
0.0 alert
Brenk :
1.0 alert
Leadlikeness :
3.0
Synthetic accessibility :
6.33
Safety of [ 1306747-75-0 ]
Application In Synthesis of [ 1306747-75-0 ]
* 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 [ 1306747-75-0 ]
1
[ 1306747-73-8 ]
[ 1306747-75-0 ]
Yield Reaction Conditions Operation in experiment
With trichlorosilane; triphenylphosphine In tetrahydrofuran; toluene at 100℃; Inert atmosphere;
Reference:
[1]Berhal, Farouk; Esseiva, Olivier; Martin, Charles-Henri; Tone, Hitoshi; Genet, Jean-Pierre; Ayad, Tahar; Ratovelomanana-Vidal, Virginie
[Organic Letters, 2011, vol. 13, # 11, p. 2806 - 2809]