Alternatived Products of [ 82832-29-9 ]
Product Details of [ 82832-29-9 ]
CAS No. : | 82832-29-9 |
MDL No. : | MFCD00689082 |
Formula : |
C23H35F
|
Boiling Point : |
- |
Linear Structure Formula : | - |
InChI Key : | CYJOKSKCHPPDMU-UHFFFAOYSA-N |
M.W : |
330.52
|
Pubchem ID : | 12064707 |
Synonyms : |
|
Calculated chemistry of [ 82832-29-9 ]
Physicochemical Properties
Num. heavy atoms : |
24 |
Num. arom. heavy atoms : |
6 |
Fraction Csp3 : |
0.74 |
Num. rotatable bonds : |
6 |
Num. H-bond acceptors : |
1.0 |
Num. H-bond donors : |
0.0 |
Molar Refractivity : |
104.05 |
TPSA : |
0.0 Ų |
Pharmacokinetics
GI absorption : |
Low |
BBB permeant : |
No |
P-gp substrate : |
Yes |
CYP1A2 inhibitor : |
No |
CYP2C19 inhibitor : |
Yes |
CYP2C9 inhibitor : |
Yes |
CYP2D6 inhibitor : |
No |
CYP3A4 inhibitor : |
No |
Log Kp (skin permeation) : |
-1.62 cm/s |
Lipophilicity
Log Po/w (iLOGP) : |
4.85 |
Log Po/w (XLOGP3) : |
9.43 |
Log Po/w (WLOGP) : |
7.91 |
Log Po/w (MLOGP) : |
6.75 |
Log Po/w (SILICOS-IT) : |
6.91 |
Consensus Log Po/w : |
7.17 |
Druglikeness
Lipinski : |
1.0 |
Ghose : |
None |
Veber : |
0.0 |
Egan : |
1.0 |
Muegge : |
2.0 |
Bioavailability Score : |
0.55 |
Water Solubility
Log S (ESOL) : |
-7.62 |
Solubility : |
0.00000794 mg/ml ; 0.000000024 mol/l |
Class : |
Poorly soluble |
Log S (Ali) : |
-9.34 |
Solubility : |
0.000000152 mg/ml ; 0.0000000005 mol/l |
Class : |
Poorly soluble |
Log S (SILICOS-IT) : |
-7.07 |
Solubility : |
0.0000283 mg/ml ; 0.0000000857 mol/l |
Class : |
Poorly soluble |
Medicinal Chemistry
PAINS : |
0.0 alert |
Brenk : |
0.0 alert |
Leadlikeness : |
1.0 |
Synthetic accessibility : |
3.7 |
Safety of [ 82832-29-9 ]
Signal Word: | |
Class: | |
Precautionary Statements: | |
UN#: | |
Hazard Statements: | |
Packing Group: | |