Alternatived Products of [ 132123-39-8 ]
Product Details of [ 132123-39-8 ]
CAS No. : | 132123-39-8 |
MDL No. : | MFCD09839001 |
Formula : |
C21H23F3
|
Boiling Point : |
- |
Linear Structure Formula : | - |
InChI Key : | RRKRBRVTKIRLHH-UHFFFAOYSA-N |
M.W : |
332.40
|
Pubchem ID : | 15014921 |
Synonyms : |
|
Calculated chemistry of [ 132123-39-8 ]
Physicochemical Properties
Num. heavy atoms : |
24 |
Num. arom. heavy atoms : |
12 |
Fraction Csp3 : |
0.43 |
Num. rotatable bonds : |
4 |
Num. H-bond acceptors : |
3.0 |
Num. H-bond donors : |
0.0 |
Molar Refractivity : |
93.06 |
TPSA : |
0.0 Ų |
Pharmacokinetics
GI absorption : |
Low |
BBB permeant : |
No |
P-gp substrate : |
Yes |
CYP1A2 inhibitor : |
No |
CYP2C19 inhibitor : |
No |
CYP2C9 inhibitor : |
No |
CYP2D6 inhibitor : |
Yes |
CYP3A4 inhibitor : |
No |
Log Kp (skin permeation) : |
-2.85 cm/s |
Lipophilicity
Log Po/w (iLOGP) : |
4.15 |
Log Po/w (XLOGP3) : |
7.72 |
Log Po/w (WLOGP) : |
8.11 |
Log Po/w (MLOGP) : |
6.82 |
Log Po/w (SILICOS-IT) : |
7.27 |
Consensus Log Po/w : |
6.81 |
Druglikeness
Lipinski : |
1.0 |
Ghose : |
None |
Veber : |
0.0 |
Egan : |
1.0 |
Muegge : |
2.0 |
Bioavailability Score : |
0.55 |
Water Solubility
Log S (ESOL) : |
-6.87 |
Solubility : |
0.0000448 mg/ml ; 0.000000135 mol/l |
Class : |
Poorly soluble |
Log S (Ali) : |
-7.56 |
Solubility : |
0.00000911 mg/ml ; 0.0000000274 mol/l |
Class : |
Poorly soluble |
Log S (SILICOS-IT) : |
-8.13 |
Solubility : |
0.00000249 mg/ml ; 0.0000000075 mol/l |
Class : |
Poorly soluble |
Medicinal Chemistry
PAINS : |
0.0 alert |
Brenk : |
1.0 alert |
Leadlikeness : |
1.0 |
Synthetic accessibility : |
3.36 |
Safety of [ 132123-39-8 ]