Alternatived Products of [ 74641-30-8 ]
Product Details of [ 74641-30-8 ]
CAS No. : | 74641-30-8 |
MDL No. : | MFCD22683215 |
Formula : |
C14H14Cl2N2
|
Boiling Point : |
- |
Linear Structure Formula : | - |
InChI Key : | - |
M.W : |
281.18
|
Pubchem ID : | - |
Synonyms : |
|
Calculated chemistry of [ 74641-30-8 ]
Physicochemical Properties
Num. heavy atoms : |
18 |
Num. arom. heavy atoms : |
12 |
Fraction Csp3 : |
0.14 |
Num. rotatable bonds : |
3 |
Num. H-bond acceptors : |
2.0 |
Num. H-bond donors : |
2.0 |
Molar Refractivity : |
76.14 |
TPSA : |
52.04 Ų |
Pharmacokinetics
GI absorption : |
High |
BBB permeant : |
Yes |
P-gp substrate : |
Yes |
CYP1A2 inhibitor : |
No |
CYP2C19 inhibitor : |
Yes |
CYP2C9 inhibitor : |
No |
CYP2D6 inhibitor : |
Yes |
CYP3A4 inhibitor : |
Yes |
Log Kp (skin permeation) : |
-6.13 cm/s |
Lipophilicity
Log Po/w (iLOGP) : |
2.79 |
Log Po/w (XLOGP3) : |
2.66 |
Log Po/w (WLOGP) : |
3.04 |
Log Po/w (MLOGP) : |
3.45 |
Log Po/w (SILICOS-IT) : |
3.42 |
Consensus Log Po/w : |
3.07 |
Druglikeness
Lipinski : |
0.0 |
Ghose : |
None |
Veber : |
0.0 |
Egan : |
0.0 |
Muegge : |
0.0 |
Bioavailability Score : |
0.55 |
Water Solubility
Log S (ESOL) : |
-3.55 |
Solubility : |
0.0784 mg/ml ; 0.000279 mol/l |
Class : |
Soluble |
Log S (Ali) : |
-3.4 |
Solubility : |
0.111 mg/ml ; 0.000394 mol/l |
Class : |
Soluble |
Log S (SILICOS-IT) : |
-5.52 |
Solubility : |
0.000845 mg/ml ; 0.00000301 mol/l |
Class : |
Moderately soluble |
Medicinal Chemistry
PAINS : |
0.0 alert |
Brenk : |
0.0 alert |
Leadlikeness : |
0.0 |
Synthetic accessibility : |
2.32 |