Alternatived Products of [ 84793-24-8 ]
Product Details of [ 84793-24-8 ]
CAS No. : | 84793-24-8 |
MDL No. : | MFCD00272296 |
Formula : |
C16H19NO5
|
Boiling Point : |
- |
Linear Structure Formula : | - |
InChI Key : | GFZFELCFSBCPDB-AAEUAGOBSA-N |
M.W : |
305.33
|
Pubchem ID : | 9922512 |
Synonyms : |
|
Calculated chemistry of [ 84793-24-8 ] Expand+
Physicochemical Properties
Num. heavy atoms : |
22 |
Num. arom. heavy atoms : |
6 |
Fraction Csp3 : |
0.44 |
Num. rotatable bonds : |
7 |
Num. H-bond acceptors : |
5.0 |
Num. H-bond donors : |
0.0 |
Molar Refractivity : |
82.53 |
TPSA : |
72.91 ?2 |
Pharmacokinetics
GI absorption : |
High |
BBB permeant : |
No |
P-gp substrate : |
No |
CYP1A2 inhibitor : |
Yes |
CYP2C19 inhibitor : |
Yes |
CYP2C9 inhibitor : |
No |
CYP2D6 inhibitor : |
No |
CYP3A4 inhibitor : |
No |
Log Kp (skin permeation) : |
-6.21 cm/s |
Lipophilicity
Log Po/w (iLOGP) : |
2.43 |
Log Po/w (XLOGP3) : |
2.75 |
Log Po/w (WLOGP) : |
1.54 |
Log Po/w (MLOGP) : |
1.59 |
Log Po/w (SILICOS-IT) : |
2.22 |
Consensus Log Po/w : |
2.1 |
Druglikeness
Lipinski : |
0.0 |
Ghose : |
None |
Veber : |
0.0 |
Egan : |
0.0 |
Muegge : |
0.0 |
Bioavailability Score : |
0.55 |
Water Solubility
Log S (ESOL) : |
-3.21 |
Solubility : |
0.19 mg/ml ; 0.000623 mol/l |
Class : |
Soluble |
Log S (Ali) : |
-3.94 |
Solubility : |
0.0354 mg/ml ; 0.000116 mol/l |
Class : |
Soluble |
Log S (SILICOS-IT) : |
-3.56 |
Solubility : |
0.0831 mg/ml ; 0.000272 mol/l |
Class : |
Soluble |
Medicinal Chemistry
PAINS : |
0.0 alert |
Brenk : |
2.0 alert |
Leadlikeness : |
0.0 |
Synthetic accessibility : |
3.39 |
Safety of [ 84793-24-8 ]
Signal Word: | Warning |
Class: | N/A |
Precautionary Statements: | P305+P351+P338 |
UN#: | N/A |
Hazard Statements: | H319 |
Packing Group: | N/A |
GHS Pictogram: |
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