Alternatived Products of [ 79709-85-6 ]
Product Details of [ 79709-85-6 ]
CAS No. : | 79709-85-6 |
MDL No. : | MFCD01941072 |
Formula : |
C25H34
|
Boiling Point : |
- |
Linear Structure Formula : | - |
InChI Key : | JOLGXBQYTARJLD-UHFFFAOYSA-N |
M.W : | 334.54 g/mol |
Pubchem ID : | 630553 |
Synonyms : |
|
Calculated chemistry of [ 79709-85-6 ]
Physicochemical Properties
Num. heavy atoms : |
25 |
Num. arom. heavy atoms : |
12 |
Fraction Csp3 : |
0.52 |
Num. rotatable bonds : |
7 |
Num. H-bond acceptors : |
0.0 |
Num. H-bond donors : |
0.0 |
Molar Refractivity : |
112.57 |
TPSA : |
0.0 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) : |
-1.74 cm/s |
Lipophilicity
Log Po/w (iLOGP) : |
4.93 |
Log Po/w (XLOGP3) : |
9.3 |
Log Po/w (WLOGP) : |
7.77 |
Log Po/w (MLOGP) : |
7.45 |
Log Po/w (SILICOS-IT) : |
7.72 |
Consensus Log Po/w : |
7.44 |
Druglikeness
Lipinski : |
1.0 |
Ghose : |
None |
Veber : |
0.0 |
Egan : |
1.0 |
Muegge : |
2.0 |
Bioavailability Score : |
0.55 |
Water Solubility
Log S (ESOL) : |
-7.67 |
Solubility : |
0.00000721 mg/ml ; 0.0000000216 mol/l |
Class : |
Poorly soluble |
Log S (Ali) : |
-9.2 |
Solubility : |
0.00000021 mg/ml ; 0.0000000006 mol/l |
Class : |
Poorly soluble |
Log S (SILICOS-IT) : |
-8.89 |
Solubility : |
0.000000433 mg/ml ; 0.0000000013 mol/l |
Class : |
Poorly soluble |
Medicinal Chemistry
PAINS : |
0.0 alert |
Brenk : |
0.0 alert |
Leadlikeness : |
1.0 |
Synthetic accessibility : |
3.44 |
Safety of [ 79709-85-6 ]
Signal Word: | Warning |
Class: | N/A |
Precautionary Statements: | P280-P305+P351+P338 |
UN#: | N/A |
Hazard Statements: | H302 |
Packing Group: | N/A |
GHS Pictogram: |
|