Alternatived Products of [ 82911-69-1 ]
Product Details of [ 82911-69-1 ]
CAS No. : | 82911-69-1 |
MDL No. : | MFCD00010733 |
Formula : |
C19H15NO5
|
Boiling Point : |
- |
Linear Structure Formula : | C12H8CHCH2OCOONCOCH2CH2CO |
InChI Key : | WMSUFWLPZLCIHP-UHFFFAOYSA-N |
M.W : |
337.33
|
Pubchem ID : | 134122 |
Synonyms : |
|
Chemical Name : | N-(9-Fluorenylmethoxycarbonyloxy)succinimide |
Calculated chemistry of [ 82911-69-1 ] Expand+
Physicochemical Properties
Num. heavy atoms : |
25 |
Num. arom. heavy atoms : |
12 |
Fraction Csp3 : |
0.21 |
Num. rotatable bonds : |
5 |
Num. H-bond acceptors : |
5.0 |
Num. H-bond donors : |
0.0 |
Molar Refractivity : |
91.59 |
TPSA : |
72.91 Ų |
Pharmacokinetics
GI absorption : |
High |
BBB permeant : |
Yes |
P-gp substrate : |
No |
CYP1A2 inhibitor : |
No |
CYP2C19 inhibitor : |
Yes |
CYP2C9 inhibitor : |
Yes |
CYP2D6 inhibitor : |
No |
CYP3A4 inhibitor : |
No |
Log Kp (skin permeation) : |
-6.41 cm/s |
Lipophilicity
Log Po/w (iLOGP) : |
2.28 |
Log Po/w (XLOGP3) : |
2.75 |
Log Po/w (WLOGP) : |
2.64 |
Log Po/w (MLOGP) : |
2.88 |
Log Po/w (SILICOS-IT) : |
2.55 |
Consensus Log Po/w : |
2.62 |
Druglikeness
Lipinski : |
0.0 |
Ghose : |
None |
Veber : |
0.0 |
Egan : |
0.0 |
Muegge : |
0.0 |
Bioavailability Score : |
0.55 |
Water Solubility
Log S (ESOL) : |
-3.69 |
Solubility : |
0.069 mg/ml ; 0.000205 mol/l |
Class : |
Soluble |
Log S (Ali) : |
-3.94 |
Solubility : |
0.0391 mg/ml ; 0.000116 mol/l |
Class : |
Soluble |
Log S (SILICOS-IT) : |
-4.98 |
Solubility : |
0.00352 mg/ml ; 0.0000104 mol/l |
Class : |
Moderately soluble |
Medicinal Chemistry
PAINS : |
0.0 alert |
Brenk : |
1.0 alert |
Leadlikeness : |
0.0 |
Synthetic accessibility : |
3.38 |