Alternatived Products of [ 149794-10-5 ]
Product Details of [ 149794-10-5 ]
CAS No. : | 149794-10-5 |
MDL No. : | MFCD00672508 |
Formula : |
C9H17NO4
|
Boiling Point : |
- |
Linear Structure Formula : | - |
InChI Key : | SPBIXXXFDSLALC-UHFFFAOYSA-N |
M.W : |
203.24
|
Pubchem ID : | 12991451 |
Synonyms : |
|
Chemical Name : | Boc-N-Ethylglycine |
Calculated chemistry of [ 149794-10-5 ] Expand+
Physicochemical Properties
Num. heavy atoms : |
14 |
Num. arom. heavy atoms : |
0 |
Fraction Csp3 : |
0.78 |
Num. rotatable bonds : |
6 |
Num. H-bond acceptors : |
4.0 |
Num. H-bond donors : |
1.0 |
Molar Refractivity : |
51.76 |
TPSA : |
66.84 ?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) : |
-6.78 cm/s |
Lipophilicity
Log Po/w (iLOGP) : |
1.97 |
Log Po/w (XLOGP3) : |
1.07 |
Log Po/w (WLOGP) : |
1.33 |
Log Po/w (MLOGP) : |
0.83 |
Log Po/w (SILICOS-IT) : |
-0.03 |
Consensus Log Po/w : |
1.03 |
Druglikeness
Lipinski : |
0.0 |
Ghose : |
None |
Veber : |
0.0 |
Egan : |
0.0 |
Muegge : |
0.0 |
Bioavailability Score : |
0.56 |
Water Solubility
Log S (ESOL) : |
-1.38 |
Solubility : |
8.51 mg/ml ; 0.0419 mol/l |
Class : |
Very soluble |
Log S (Ali) : |
-2.07 |
Solubility : |
1.75 mg/ml ; 0.00861 mol/l |
Class : |
Soluble |
Log S (SILICOS-IT) : |
-0.69 |
Solubility : |
41.3 mg/ml ; 0.203 mol/l |
Class : |
Soluble |
Medicinal Chemistry
PAINS : |
0.0 alert |
Brenk : |
0.0 alert |
Leadlikeness : |
1.0 |
Synthetic accessibility : |
2.19 |
Safety of [ 149794-10-5 ]