Alternatived Products of [ 928292-69-7 ]
Product Details of [ 928292-69-7 ]
CAS No. : | 928292-69-7 |
MDL No. : | MFCD28122962 |
Formula : |
C22H48N2O10
|
Boiling Point : |
- |
Linear Structure Formula : | - |
InChI Key : | YMQALIUBVKNYIJ-UHFFFAOYSA-N |
M.W : |
500.62
|
Pubchem ID : | 77078168 |
Synonyms : |
|
Chemical Name : | 3,6,9,12,15,18,21,24,27,30-Decaoxadotriacontane-1,32-diamine |
Calculated chemistry of [ 928292-69-7 ]
Physicochemical Properties
Num. heavy atoms : |
34 |
Num. arom. heavy atoms : |
0 |
Fraction Csp3 : |
1.0 |
Num. rotatable bonds : |
31 |
Num. H-bond acceptors : |
12.0 |
Num. H-bond donors : |
2.0 |
Molar Refractivity : |
124.13 |
TPSA : |
144.34 Ų |
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) : |
-11.58 cm/s |
Lipophilicity
Log Po/w (iLOGP) : |
5.8 |
Log Po/w (XLOGP3) : |
-3.13 |
Log Po/w (WLOGP) : |
-0.93 |
Log Po/w (MLOGP) : |
-3.12 |
Log Po/w (SILICOS-IT) : |
3.08 |
Consensus Log Po/w : |
0.34 |
Druglikeness
Lipinski : |
2.0 |
Ghose : |
None |
Veber : |
2.0 |
Egan : |
1.0 |
Muegge : |
3.0 |
Bioavailability Score : |
0.17 |
Water Solubility
Log S (ESOL) : |
1.07 |
Solubility : |
5940.0 mg/ml ; 11.9 mol/l |
Class : |
Highly soluble |
Log S (Ali) : |
0.67 |
Solubility : |
2320.0 mg/ml ; 4.63 mol/l |
Class : |
Highly soluble |
Log S (SILICOS-IT) : |
-5.29 |
Solubility : |
0.00254 mg/ml ; 0.00000508 mol/l |
Class : |
Moderately soluble |
Medicinal Chemistry
PAINS : |
0.0 alert |
Brenk : |
0.0 alert |
Leadlikeness : |
2.0 |
Synthetic accessibility : |
4.39 |
Safety of [ 928292-69-7 ]