Alternatived Products of [ 153433-26-2 ]
Product Details of [ 153433-26-2 ]
CAS No. : | 153433-26-2 |
MDL No. : | MFCD09039291 |
Formula : |
C5H10BClF4N2
|
Boiling Point : |
- |
Linear Structure Formula : | - |
InChI Key : | N/A |
M.W : | 220.40 g/mol |
Pubchem ID : | - |
Synonyms : |
|
Calculated chemistry of of [ 153433-26-2 ]
Physicochemical Properties
Num. heavy atoms : |
13 |
Num. arom. heavy atoms : |
0 |
Fraction Csp3 : |
0.8 |
Num. rotatable bonds : |
0 |
Num. H-bond acceptors : |
4.0 |
Num. H-bond donors : |
0.0 |
Molar Refractivity : |
53.9 |
TPSA : |
6.25 Ų |
Pharmacokinetics
GI absorption : |
High |
BBB permeant : |
Yes |
P-gp substrate : |
No |
CYP1A2 inhibitor : |
No |
CYP2C19 inhibitor : |
No |
CYP2C9 inhibitor : |
No |
CYP2D6 inhibitor : |
No |
CYP3A4 inhibitor : |
No |
Log Kp (skin permeation) : |
-5.8 cm/s |
Lipophilicity
Log Po/w (iLOGP) : |
0.0 |
Log Po/w (XLOGP3) : |
2.6 |
Log Po/w (WLOGP) : |
2.39 |
Log Po/w (MLOGP) : |
1.57 |
Log Po/w (SILICOS-IT) : |
0.28 |
Consensus Log Po/w : |
1.37 |
Druglikeness
Lipinski : |
0.0 |
Ghose : |
None |
Veber : |
0.0 |
Egan : |
0.0 |
Muegge : |
0.0 |
Bioavailability Score : |
0.55 |
Water Solubility
Log S (ESOL) : |
-2.84 |
Solubility : |
0.315 mg/ml ; 0.00143 mol/l |
Class : |
Soluble |
Log S (Ali) : |
-2.38 |
Solubility : |
0.918 mg/ml ; 0.00416 mol/l |
Class : |
Soluble |
Log S (SILICOS-IT) : |
-1.44 |
Solubility : |
8.0 mg/ml ; 0.0363 mol/l |
Class : |
Soluble |
Medicinal Chemistry
PAINS : |
0.0 alert |
Brenk : |
3.0 alert |
Leadlikeness : |
1.0 |
Synthetic accessibility : |
3.15 |
Safety of [ 153433-26-2 ]