Alternatived Products of [ 14937-45-2 ]
Product Details of [ 14937-45-2 ]
CAS No. : | 14937-45-2 |
MDL No. : | MFCD00011775 |
Formula : |
C28H60BrP
|
Boiling Point : |
No data available |
Linear Structure Formula : | - |
InChI Key : | RYVBINGWVJJDPU-UHFFFAOYSA-M |
M.W : |
507.65
|
Pubchem ID : | 84716 |
Synonyms : |
|
Calculated chemistry of [ 14937-45-2 ] Expand+
Physicochemical Properties
Num. heavy atoms : |
30 |
Num. arom. heavy atoms : |
0 |
Fraction Csp3 : |
1.0 |
Num. rotatable bonds : |
24 |
Num. H-bond acceptors : |
0.0 |
Num. H-bond donors : |
0.0 |
Molar Refractivity : |
154.67 |
TPSA : |
13.59 ?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) : |
-0.58 cm/s |
Lipophilicity
Log Po/w (iLOGP) : |
2.76 |
Log Po/w (XLOGP3) : |
12.42 |
Log Po/w (WLOGP) : |
7.89 |
Log Po/w (MLOGP) : |
8.44 |
Log Po/w (SILICOS-IT) : |
10.96 |
Consensus Log Po/w : |
8.49 |
Druglikeness
Lipinski : |
2.0 |
Ghose : |
None |
Veber : |
1.0 |
Egan : |
1.0 |
Muegge : |
3.0 |
Bioavailability Score : |
0.17 |
Water Solubility
Log S (ESOL) : |
-9.23 |
Solubility : |
0.0000003 mg/ml ; 0.0000000006 mol/l |
Class : |
Poorly soluble |
Log S (Ali) : |
-12.72 |
Solubility : |
0.0000000001 mg/ml ; 0.0 mol/l |
Class : |
Insoluble |
Log S (SILICOS-IT) : |
-11.15 |
Solubility : |
0.0000000036 mg/ml ; 0.0 mol/l |
Class : |
Insoluble |
Medicinal Chemistry
PAINS : |
0.0 alert |
Brenk : |
1.0 alert |
Leadlikeness : |
3.0 |
Synthetic accessibility : |
5.81 |
Categories