Alternatived Products of [ 548-19-6 ]
Product Details of [ 548-19-6 ]
CAS No. : | 548-19-6 |
MDL No. : | MFCD00597035 |
Formula : |
C32H22O10
|
Boiling Point : |
- |
Linear Structure Formula : | - |
InChI Key : | HUOOMAOYXQFIDQ-UHFFFAOYSA-N |
M.W : |
566.51
|
Pubchem ID : | 5318569 |
Synonyms : |
|
Chemical Name : | 8-(5-(5,7-Dihydroxy-4-oxo-4H-chromen-2-yl)-2-methoxyphenyl)-5,7-dihydroxy-2-(4-methoxyphenyl)-4H-chromen-4-one |
Calculated chemistry of [ 548-19-6 ] Expand+
Physicochemical Properties
Num. heavy atoms : |
42 |
Num. arom. heavy atoms : |
32 |
Fraction Csp3 : |
0.06 |
Num. rotatable bonds : |
5 |
Num. H-bond acceptors : |
10.0 |
Num. H-bond donors : |
4.0 |
Molar Refractivity : |
155.91 |
TPSA : |
159.8 ?2 |
Pharmacokinetics
GI absorption : |
Low |
BBB permeant : |
No |
P-gp substrate : |
No |
CYP1A2 inhibitor : |
No |
CYP2C19 inhibitor : |
No |
CYP2C9 inhibitor : |
Yes |
CYP2D6 inhibitor : |
No |
CYP3A4 inhibitor : |
No |
Log Kp (skin permeation) : |
-5.72 cm/s |
Lipophilicity
Log Po/w (iLOGP) : |
4.17 |
Log Po/w (XLOGP3) : |
5.69 |
Log Po/w (WLOGP) : |
5.74 |
Log Po/w (MLOGP) : |
0.63 |
Log Po/w (SILICOS-IT) : |
5.72 |
Consensus Log Po/w : |
4.39 |
Druglikeness
Lipinski : |
1.0 |
Ghose : |
None |
Veber : |
1.0 |
Egan : |
1.0 |
Muegge : |
2.0 |
Bioavailability Score : |
0.55 |
Water Solubility
Log S (ESOL) : |
-7.17 |
Solubility : |
0.0000382 mg/ml ; 0.0000000675 mol/l |
Class : |
Poorly soluble |
Log S (Ali) : |
-8.81 |
Solubility : |
0.000000874 mg/ml ; 0.0000000015 mol/l |
Class : |
Poorly soluble |
Log S (SILICOS-IT) : |
-10.07 |
Solubility : |
0.0000000478 mg/ml ; 0.0000000001 mol/l |
Class : |
Insoluble |
Medicinal Chemistry
PAINS : |
0.0 alert |
Brenk : |
0.0 alert |
Leadlikeness : |
2.0 |
Synthetic accessibility : |
4.47 |
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