Alternatived Products of [ 6790-09-6 ]
Product Details of [ 6790-09-6 ]
CAS No. : | 6790-09-6 |
MDL No. : | MFCD06201001 |
Formula : |
C24H50O13
|
Boiling Point : |
- |
Linear Structure Formula : | - |
InChI Key : | WRZXKWFJEFFURH-UHFFFAOYSA-N |
M.W : |
546.65
|
Pubchem ID : | 81248 |
Synonyms : |
|
Chemical Name : | 3,6,9,12,15,18,21,24,27,30,33-Undecaoxapentatriacontane-1,35-diol |
Calculated chemistry of [ 6790-09-6 ] Expand+
Physicochemical Properties
Num. heavy atoms : |
37 |
Num. arom. heavy atoms : |
0 |
Fraction Csp3 : |
1.0 |
Num. rotatable bonds : |
34 |
Num. H-bond acceptors : |
13.0 |
Num. H-bond donors : |
2.0 |
Molar Refractivity : |
131.74 |
TPSA : |
141.99 ?2 |
Pharmacokinetics
GI absorption : |
Low |
BBB permeant : |
No |
P-gp substrate : |
Yes |
CYP1A2 inhibitor : |
No |
CYP2C19 inhibitor : |
No |
CYP2C9 inhibitor : |
No |
CYP2D6 inhibitor : |
No |
CYP3A4 inhibitor : |
No |
Log Kp (skin permeation) : |
-11.6 cm/s |
Lipophilicity
Log Po/w (iLOGP) : |
6.51 |
Log Po/w (XLOGP3) : |
-2.77 |
Log Po/w (WLOGP) : |
-0.85 |
Log Po/w (MLOGP) : |
-3.44 |
Log Po/w (SILICOS-IT) : |
4.0 |
Consensus Log Po/w : |
0.69 |
Druglikeness
Lipinski : |
2.0 |
Ghose : |
None |
Veber : |
2.0 |
Egan : |
1.0 |
Muegge : |
3.0 |
Bioavailability Score : |
0.17 |
Water Solubility
Log S (ESOL) : |
0.76 |
Solubility : |
3140.0 mg/ml ; 5.75 mol/l |
Class : |
Highly soluble |
Log S (Ali) : |
0.34 |
Solubility : |
1200.0 mg/ml ; 2.2 mol/l |
Class : |
Highly soluble |
Log S (SILICOS-IT) : |
-5.36 |
Solubility : |
0.0024 mg/ml ; 0.0000044 mol/l |
Class : |
Moderately soluble |
Medicinal Chemistry
PAINS : |
0.0 alert |
Brenk : |
0.0 alert |
Leadlikeness : |
2.0 |
Synthetic accessibility : |
4.62 |