Alternatived Products of [ 5241-62-3 ]
Product Details of [ 5241-62-3 ]
CAS No. : | 5241-62-3 |
MDL No. : | MFCD00237336 |
Formula : |
C19H19NO6
|
Boiling Point : |
- |
Linear Structure Formula : | - |
InChI Key : | VUKCNAATVIWRTF-MRXNPFEDSA-N |
M.W : |
357.36
|
Pubchem ID : | 47604 |
Synonyms : |
|
Chemical Name : | Z-D-Asp(OBzl)-OH |
Calculated chemistry of [ 5241-62-3 ] Expand+
Physicochemical Properties
Num. heavy atoms : |
26 |
Num. arom. heavy atoms : |
12 |
Fraction Csp3 : |
0.21 |
Num. rotatable bonds : |
11 |
Num. H-bond acceptors : |
6.0 |
Num. H-bond donors : |
2.0 |
Molar Refractivity : |
92.27 |
TPSA : |
101.93 ?2 |
Pharmacokinetics
GI absorption : |
High |
BBB permeant : |
No |
P-gp substrate : |
No |
CYP1A2 inhibitor : |
No |
CYP2C19 inhibitor : |
Yes |
CYP2C9 inhibitor : |
No |
CYP2D6 inhibitor : |
No |
CYP3A4 inhibitor : |
No |
Log Kp (skin permeation) : |
-6.78 cm/s |
Lipophilicity
Log Po/w (iLOGP) : |
2.19 |
Log Po/w (XLOGP3) : |
2.39 |
Log Po/w (WLOGP) : |
2.2 |
Log Po/w (MLOGP) : |
2.07 |
Log Po/w (SILICOS-IT) : |
2.28 |
Consensus Log Po/w : |
2.22 |
Druglikeness
Lipinski : |
0.0 |
Ghose : |
None |
Veber : |
1.0 |
Egan : |
0.0 |
Muegge : |
0.0 |
Bioavailability Score : |
0.56 |
Water Solubility
Log S (ESOL) : |
-3.18 |
Solubility : |
0.238 mg/ml ; 0.000665 mol/l |
Class : |
Soluble |
Log S (Ali) : |
-4.17 |
Solubility : |
0.0241 mg/ml ; 0.0000673 mol/l |
Class : |
Moderately soluble |
Log S (SILICOS-IT) : |
-4.94 |
Solubility : |
0.00414 mg/ml ; 0.0000116 mol/l |
Class : |
Moderately soluble |
Medicinal Chemistry
PAINS : |
0.0 alert |
Brenk : |
1.0 alert |
Leadlikeness : |
2.0 |
Synthetic accessibility : |
3.47 |
Categories