Alternatived Products of [ 2383588-60-9 ]
Product Details of [ 2383588-60-9 ]
CAS No. : | 2383588-60-9 |
MDL No. : | N/A |
Formula : |
C6H2BrClI2
|
Boiling Point : |
- |
Linear Structure Formula : | - |
InChI Key : | WINOSSPCPSBARO-UHFFFAOYSA-N |
M.W : | 443.25 |
Pubchem ID : | 143626045 |
Synonyms : |
|
Calculated chemistry of [ 2383588-60-9 ]
Physicochemical Properties
Num. heavy atoms : |
10 |
Num. arom. heavy atoms : |
6 |
Fraction Csp3 : |
0.0 |
Num. rotatable bonds : |
0 |
Num. H-bond acceptors : |
0.0 |
Num. H-bond donors : |
0.0 |
Molar Refractivity : |
64.59 |
TPSA : |
0.0 Ų |
Pharmacokinetics
GI absorption : |
Low |
BBB permeant : |
Yes |
P-gp substrate : |
No |
CYP1A2 inhibitor : |
Yes |
CYP2C19 inhibitor : |
No |
CYP2C9 inhibitor : |
Yes |
CYP2D6 inhibitor : |
No |
CYP3A4 inhibitor : |
No |
Log Kp (skin permeation) : |
-5.78 cm/s |
Lipophilicity
Log Po/w (iLOGP) : |
2.73 |
Log Po/w (XLOGP3) : |
4.54 |
Log Po/w (WLOGP) : |
4.31 |
Log Po/w (MLOGP) : |
5.34 |
Log Po/w (SILICOS-IT) : |
5.11 |
Consensus Log Po/w : |
4.41 |
Druglikeness
Lipinski : |
1.0 |
Ghose : |
None |
Veber : |
0.0 |
Egan : |
0.0 |
Muegge : |
1.0 |
Bioavailability Score : |
0.55 |
Water Solubility
Log S (ESOL) : |
-5.89 |
Solubility : |
0.000568 mg/ml ; 0.00000128 mol/l |
Class : |
Moderately soluble |
Log S (Ali) : |
-4.26 |
Solubility : |
0.0242 mg/ml ; 0.0000547 mol/l |
Class : |
Moderately soluble |
Log S (SILICOS-IT) : |
-5.65 |
Solubility : |
0.000999 mg/ml ; 0.00000225 mol/l |
Class : |
Moderately soluble |
Medicinal Chemistry
PAINS : |
0.0 alert |
Brenk : |
3.0 alert |
Leadlikeness : |
2.0 |
Synthetic accessibility : |
2.32 |
Safety of [ 2383588-60-9 ]