Alternatived Products of [ 18507-89-6 ]
Product Details of [ 18507-89-6 ]
CAS No. : | 18507-89-6 |
MDL No. : | MFCD00673686 |
Formula : |
C24H35NO5
|
Boiling Point : |
No data available |
Linear Structure Formula : | - |
InChI Key : | JHAYEQICABJSTP-UHFFFAOYSA-N |
M.W : |
417.54
|
Pubchem ID : | 29112 |
Synonyms : |
|
Chemical Name : | Ethyl 6-(decyloxy)-7-ethoxy-4-hydroxyquinoline-3-carboxylate |
Calculated chemistry of [ 18507-89-6 ] Expand+
Physicochemical Properties
Num. heavy atoms : |
30 |
Num. arom. heavy atoms : |
10 |
Fraction Csp3 : |
0.58 |
Num. rotatable bonds : |
15 |
Num. H-bond acceptors : |
6.0 |
Num. H-bond donors : |
1.0 |
Molar Refractivity : |
120.91 |
TPSA : |
77.88 ?2 |
Pharmacokinetics
GI absorption : |
High |
BBB permeant : |
No |
P-gp substrate : |
No |
CYP1A2 inhibitor : |
No |
CYP2C19 inhibitor : |
No |
CYP2C9 inhibitor : |
No |
CYP2D6 inhibitor : |
Yes |
CYP3A4 inhibitor : |
Yes |
Log Kp (skin permeation) : |
-3.59 cm/s |
Lipophilicity
Log Po/w (iLOGP) : |
5.1 |
Log Po/w (XLOGP3) : |
7.41 |
Log Po/w (WLOGP) : |
6.04 |
Log Po/w (MLOGP) : |
3.07 |
Log Po/w (SILICOS-IT) : |
6.3 |
Consensus Log Po/w : |
5.58 |
Druglikeness
Lipinski : |
0.0 |
Ghose : |
None |
Veber : |
1.0 |
Egan : |
1.0 |
Muegge : |
1.0 |
Bioavailability Score : |
0.55 |
Water Solubility
Log S (ESOL) : |
-6.35 |
Solubility : |
0.000185 mg/ml ; 0.000000443 mol/l |
Class : |
Poorly soluble |
Log S (Ali) : |
-8.88 |
Solubility : |
0.000000555 mg/ml ; 0.0000000013 mol/l |
Class : |
Poorly soluble |
Log S (SILICOS-IT) : |
-7.82 |
Solubility : |
0.00000638 mg/ml ; 0.0000000153 mol/l |
Class : |
Poorly soluble |
Medicinal Chemistry
PAINS : |
0.0 alert |
Brenk : |
0.0 alert |
Leadlikeness : |
3.0 |
Synthetic accessibility : |
3.32 |