Alternatived Products of [ 82038-34-4 ]
Product Details of [ 82038-34-4 ]
CAS No. : | 82038-34-4 |
MDL No. : | MFCD06658544 |
Formula : |
C15H21NO5
|
Boiling Point : |
- |
Linear Structure Formula : | - |
InChI Key : | APVBZIOLJVJCLT-LBPRGKRZSA-N |
M.W : |
295.33
|
Pubchem ID : | 7019889 |
Synonyms : |
|
Chemical Name : | Boc-MeTyr-OH |
Calculated chemistry of [ 82038-34-4 ] Expand+
Physicochemical Properties
Num. heavy atoms : |
21 |
Num. arom. heavy atoms : |
6 |
Fraction Csp3 : |
0.47 |
Num. rotatable bonds : |
7 |
Num. H-bond acceptors : |
5.0 |
Num. H-bond donors : |
2.0 |
Molar Refractivity : |
78.27 |
TPSA : |
87.07 ?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) : |
-6.44 cm/s |
Lipophilicity
Log Po/w (iLOGP) : |
2.27 |
Log Po/w (XLOGP3) : |
2.34 |
Log Po/w (WLOGP) : |
2.25 |
Log Po/w (MLOGP) : |
1.68 |
Log Po/w (SILICOS-IT) : |
1.14 |
Consensus Log Po/w : |
1.94 |
Druglikeness
Lipinski : |
0.0 |
Ghose : |
None |
Veber : |
0.0 |
Egan : |
0.0 |
Muegge : |
0.0 |
Bioavailability Score : |
0.56 |
Water Solubility
Log S (ESOL) : |
-2.89 |
Solubility : |
0.376 mg/ml ; 0.00127 mol/l |
Class : |
Soluble |
Log S (Ali) : |
-3.81 |
Solubility : |
0.046 mg/ml ; 0.000156 mol/l |
Class : |
Soluble |
Log S (SILICOS-IT) : |
-2.26 |
Solubility : |
1.61 mg/ml ; 0.00545 mol/l |
Class : |
Soluble |
Medicinal Chemistry
PAINS : |
0.0 alert |
Brenk : |
0.0 alert |
Leadlikeness : |
0.0 |
Synthetic accessibility : |
2.79 |