Alternatived Products of [ 48208-26-0 ]
Product Details of [ 48208-26-0 ]
CAS No. : | 48208-26-0 |
MDL No. : | MFCD08705332 |
Formula : |
C19H14N2O4
|
Boiling Point : |
- |
Linear Structure Formula : | - |
InChI Key : | HPTXLHAHLXOAKV-INIZCTEOSA-N |
M.W : |
334.33
|
Pubchem ID : | 702558 |
Synonyms : |
N-Phthalyl-L-tryptophan
|
Calculated chemistry of [ 48208-26-0 ]
Physicochemical Properties
Num. heavy atoms : |
25 |
Num. arom. heavy atoms : |
15 |
Fraction Csp3 : |
0.11 |
Num. rotatable bonds : |
4 |
Num. H-bond acceptors : |
4.0 |
Num. H-bond donors : |
2.0 |
Molar Refractivity : |
94.45 |
TPSA : |
90.47 Ų |
Pharmacokinetics
GI absorption : |
High |
BBB permeant : |
No |
P-gp substrate : |
No |
CYP1A2 inhibitor : |
Yes |
CYP2C19 inhibitor : |
No |
CYP2C9 inhibitor : |
Yes |
CYP2D6 inhibitor : |
No |
CYP3A4 inhibitor : |
No |
Log Kp (skin permeation) : |
-6.49 cm/s |
Lipophilicity
Log Po/w (iLOGP) : |
1.68 |
Log Po/w (XLOGP3) : |
2.61 |
Log Po/w (WLOGP) : |
2.08 |
Log Po/w (MLOGP) : |
1.91 |
Log Po/w (SILICOS-IT) : |
2.9 |
Consensus Log Po/w : |
2.24 |
Druglikeness
Lipinski : |
0.0 |
Ghose : |
None |
Veber : |
0.0 |
Egan : |
0.0 |
Muegge : |
0.0 |
Bioavailability Score : |
0.56 |
Water Solubility
Log S (ESOL) : |
-3.74 |
Solubility : |
0.0612 mg/ml ; 0.000183 mol/l |
Class : |
Soluble |
Log S (Ali) : |
-4.16 |
Solubility : |
0.0232 mg/ml ; 0.0000693 mol/l |
Class : |
Moderately soluble |
Log S (SILICOS-IT) : |
-5.26 |
Solubility : |
0.00182 mg/ml ; 0.00000546 mol/l |
Class : |
Moderately soluble |
Medicinal Chemistry
PAINS : |
0.0 alert |
Brenk : |
1.0 alert |
Leadlikeness : |
0.0 |
Synthetic accessibility : |
2.68 |
Safety of [ 48208-26-0 ]
Signal Word: | Warning |
Class: | N/A |
Precautionary Statements: | P280 |
UN#: | N/A |
Hazard Statements: | H302-H317 |
Packing Group: | N/A |
GHS Pictogram: |
|