Alternatived Products of [ 38976-17-9 ]
Product Details of [ 38976-17-9 ]
CAS No. : | 38976-17-9 |
MDL No. : | N/A |
Formula : |
C29H51O5P
|
Boiling Point : |
- |
Linear Structure Formula : | - |
InChI Key : | JUIUXBHZFNHITF-IEOSBIPESA-N |
M.W : |
510.69
|
Pubchem ID : | 94493 |
Synonyms : |
Alpha-Tocopherol phosphate;TocP;αTP;Vtamin E phosphate;vitamin E phosphate
|
Chemical Name : | rel-(R)-2,5,7,8-Tetramethyl-2-((4R,8R)-4,8,12-trimethyltridecyl)chroman-6-yl dihydrogen phosphate |
Calculated chemistry of [ 38976-17-9 ]
Physicochemical Properties
Num. heavy atoms : |
35 |
Num. arom. heavy atoms : |
6 |
Fraction Csp3 : |
0.79 |
Num. rotatable bonds : |
14 |
Num. H-bond acceptors : |
5.0 |
Num. H-bond donors : |
2.0 |
Molar Refractivity : |
149.92 |
TPSA : |
85.8 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 : |
Yes |
Log Kp (skin permeation) : |
-2.75 cm/s |
Lipophilicity
Log Po/w (iLOGP) : |
4.81 |
Log Po/w (XLOGP3) : |
9.39 |
Log Po/w (WLOGP) : |
8.61 |
Log Po/w (MLOGP) : |
5.11 |
Log Po/w (SILICOS-IT) : |
8.61 |
Consensus Log Po/w : |
7.31 |
Druglikeness
Lipinski : |
2.0 |
Ghose : |
None |
Veber : |
1.0 |
Egan : |
1.0 |
Muegge : |
1.0 |
Bioavailability Score : |
0.56 |
Water Solubility
Log S (ESOL) : |
-8.12 |
Solubility : |
0.00000383 mg/ml ; 0.0000000075 mol/l |
Class : |
Poorly soluble |
Log S (Ali) : |
-11.1 |
Solubility : |
0.0000000041 mg/ml ; 0.0 mol/l |
Class : |
Insoluble |
Log S (SILICOS-IT) : |
-8.26 |
Solubility : |
0.00000281 mg/ml ; 0.0000000055 mol/l |
Class : |
Poorly soluble |
Medicinal Chemistry
PAINS : |
0.0 alert |
Brenk : |
1.0 alert |
Leadlikeness : |
3.0 |
Synthetic accessibility : |
5.94 |