Alternatived Products of [ 945526-43-2 ]
Product Details of [ 945526-43-2 ]
CAS No. : | 945526-43-2 |
MDL No. : | MFCD12031591 |
Formula : |
C19H21N3O2S
|
Boiling Point : |
- |
Linear Structure Formula : | - |
InChI Key : | XQABBHBFHWHMKF-UHFFFAOYSA-N |
M.W : |
355.45
|
Pubchem ID : | 3792751 |
Synonyms : |
c-Kit Inhibitor II;N-(4-imidazol-1-yl phenyl)sulfonamide;ISCK03, ISCK-03, ISCK 03.;Stem-Cell Factor/c-Kit Inhibitor
|
Calculated chemistry of [ 945526-43-2 ]
Physicochemical Properties
Num. heavy atoms : |
25 |
Num. arom. heavy atoms : |
17 |
Fraction Csp3 : |
0.21 |
Num. rotatable bonds : |
5 |
Num. H-bond acceptors : |
3.0 |
Num. H-bond donors : |
1.0 |
Molar Refractivity : |
99.95 |
TPSA : |
72.37 Ų |
Pharmacokinetics
GI absorption : |
High |
BBB permeant : |
No |
P-gp substrate : |
No |
CYP1A2 inhibitor : |
Yes |
CYP2C19 inhibitor : |
Yes |
CYP2C9 inhibitor : |
Yes |
CYP2D6 inhibitor : |
Yes |
CYP3A4 inhibitor : |
Yes |
Log Kp (skin permeation) : |
-5.72 cm/s |
Lipophilicity
Log Po/w (iLOGP) : |
2.59 |
Log Po/w (XLOGP3) : |
3.87 |
Log Po/w (WLOGP) : |
4.86 |
Log Po/w (MLOGP) : |
2.36 |
Log Po/w (SILICOS-IT) : |
2.33 |
Consensus Log Po/w : |
3.2 |
Druglikeness
Lipinski : |
0.0 |
Ghose : |
None |
Veber : |
0.0 |
Egan : |
0.0 |
Muegge : |
0.0 |
Bioavailability Score : |
0.55 |
Water Solubility
Log S (ESOL) : |
-4.66 |
Solubility : |
0.00786 mg/ml ; 0.0000221 mol/l |
Class : |
Moderately soluble |
Log S (Ali) : |
-5.09 |
Solubility : |
0.00291 mg/ml ; 0.00000819 mol/l |
Class : |
Moderately soluble |
Log S (SILICOS-IT) : |
-6.59 |
Solubility : |
0.0000918 mg/ml ; 0.000000258 mol/l |
Class : |
Poorly soluble |
Medicinal Chemistry
PAINS : |
0.0 alert |
Brenk : |
0.0 alert |
Leadlikeness : |
2.0 |
Synthetic accessibility : |
2.72 |
Safety of [ 945526-43-2 ]
Signal Word: | Warning |
Class: | N/A |
Precautionary Statements: | P305+P351+P338 |
UN#: | N/A |
Hazard Statements: | H319 |
Packing Group: | N/A |
GHS Pictogram: |
|