Alternatived Products of [ 3069-25-8 ]
Product Details of [ 3069-25-8 ]
CAS No. : | 3069-25-8 |
MDL No. : | MFCD00048021 |
Formula : |
C7H19NO3Si
|
Boiling Point : |
- |
Linear Structure Formula : | (H3CO)3Si(CH2)3NH(CH3) |
InChI Key : | DVYVMJLSUSGYMH-UHFFFAOYSA-N |
M.W : |
193.32
|
Pubchem ID : | 76480 |
Synonyms : |
|
Chemical Name : | N-Methyl-3-(trimethoxysilyl)propan-1-amine |
Calculated chemistry of [ 3069-25-8 ] Expand+
Physicochemical Properties
Num. heavy atoms : |
12 |
Num. arom. heavy atoms : |
0 |
Fraction Csp3 : |
1.0 |
Num. rotatable bonds : |
7 |
Num. H-bond acceptors : |
4.0 |
Num. H-bond donors : |
1.0 |
Molar Refractivity : |
49.69 |
TPSA : |
39.72 ?2 |
Pharmacokinetics
GI absorption : |
High |
BBB permeant : |
Yes |
P-gp substrate : |
No |
CYP1A2 inhibitor : |
No |
CYP2C19 inhibitor : |
No |
CYP2C9 inhibitor : |
No |
CYP2D6 inhibitor : |
No |
CYP3A4 inhibitor : |
No |
Log Kp (skin permeation) : |
-7.06 cm/s |
Lipophilicity
Log Po/w (iLOGP) : |
2.68 |
Log Po/w (XLOGP3) : |
0.59 |
Log Po/w (WLOGP) : |
0.47 |
Log Po/w (MLOGP) : |
-0.77 |
Log Po/w (SILICOS-IT) : |
-0.93 |
Consensus Log Po/w : |
0.41 |
Druglikeness
Lipinski : |
0.0 |
Ghose : |
None |
Veber : |
0.0 |
Egan : |
0.0 |
Muegge : |
1.0 |
Bioavailability Score : |
0.55 |
Water Solubility
Log S (ESOL) : |
-0.95 |
Solubility : |
21.8 mg/ml ; 0.113 mol/l |
Class : |
Very soluble |
Log S (Ali) : |
-1.0 |
Solubility : |
19.4 mg/ml ; 0.101 mol/l |
Class : |
Very soluble |
Log S (SILICOS-IT) : |
-2.02 |
Solubility : |
1.83 mg/ml ; 0.00946 mol/l |
Class : |
Soluble |
Medicinal Chemistry
PAINS : |
0.0 alert |
Brenk : |
1.0 alert |
Leadlikeness : |
1.0 |
Synthetic accessibility : |
3.57 |