Alternatived Products of [ 1286281-32-0 ]
Product Details of [ 1286281-32-0 ]
CAS No. : | 1286281-32-0 |
MDL No. : | MFCD13184944 |
Formula : |
C19H39NO8
|
Boiling Point : |
- |
Linear Structure Formula : | - |
InChI Key : | QGSFECNPSLZGGT-UHFFFAOYSA-N |
M.W : |
409.51
|
Pubchem ID : | 51340920 |
Synonyms : |
|
Chemical Name : | tert-Butyl 1-amino-3,6,9,12,15,18-hexaoxahenicosan-21-oate |
Calculated chemistry of [ 1286281-32-0 ] Expand+
Physicochemical Properties
Num. heavy atoms : |
28 |
Num. arom. heavy atoms : |
0 |
Fraction Csp3 : |
0.95 |
Num. rotatable bonds : |
22 |
Num. H-bond acceptors : |
9.0 |
Num. H-bond donors : |
1.0 |
Molar Refractivity : |
103.99 |
TPSA : |
107.7 ?2 |
Pharmacokinetics
GI absorption : |
High |
BBB permeant : |
No |
P-gp substrate : |
No |
CYP1A2 inhibitor : |
No |
CYP2C19 inhibitor : |
No |
CYP2C9 inhibitor : |
No |
CYP2D6 inhibitor : |
No |
CYP3A4 inhibitor : |
No |
Log Kp (skin permeation) : |
-9.36 cm/s |
Lipophilicity
Log Po/w (iLOGP) : |
4.81 |
Log Po/w (XLOGP3) : |
-0.79 |
Log Po/w (WLOGP) : |
0.78 |
Log Po/w (MLOGP) : |
-0.83 |
Log Po/w (SILICOS-IT) : |
3.1 |
Consensus Log Po/w : |
1.41 |
Druglikeness
Lipinski : |
0.0 |
Ghose : |
None |
Veber : |
1.0 |
Egan : |
0.0 |
Muegge : |
1.0 |
Bioavailability Score : |
0.55 |
Water Solubility
Log S (ESOL) : |
-0.43 |
Solubility : |
152.0 mg/ml ; 0.372 mol/l |
Class : |
Very soluble |
Log S (Ali) : |
-0.99 |
Solubility : |
41.6 mg/ml ; 0.102 mol/l |
Class : |
Very soluble |
Log S (SILICOS-IT) : |
-4.45 |
Solubility : |
0.0147 mg/ml ; 0.0000359 mol/l |
Class : |
Moderately soluble |
Medicinal Chemistry
PAINS : |
0.0 alert |
Brenk : |
0.0 alert |
Leadlikeness : |
2.0 |
Synthetic accessibility : |
3.72 |
Safety of [ 1286281-32-0 ]