Alternatived Products of [ 1375325-64-6 ]
Product Details of [ 1375325-64-6 ]
CAS No. : | 1375325-64-6 |
MDL No. : | MFCD20264897 |
Formula : |
C38H45ClNO2PPd
|
Boiling Point : |
No data available |
Linear Structure Formula : | - |
InChI Key : | HODHLQXRQOHAAZ-UHFFFAOYSA-M |
M.W : |
720.62
|
Pubchem ID : | 71309966 |
Synonyms : |
|
Chemical Name : | Chloro(2-dicyclohexylphosphino-2',6'-dimethoxy-1,1'-biphenyl)(2'-amino-1,1'-biphenyl-2-yl)palladium(II) |
Calculated chemistry of [ 1375325-64-6 ] Expand+
Physicochemical Properties
Num. heavy atoms : |
44 |
Num. arom. heavy atoms : |
24 |
Fraction Csp3 : |
0.37 |
Num. rotatable bonds : |
7 |
Num. H-bond acceptors : |
2.0 |
Num. H-bond donors : |
1.0 |
Molar Refractivity : |
189.93 |
TPSA : |
44.08 ?2 |
Pharmacokinetics
GI absorption : |
Low |
BBB permeant : |
No |
P-gp substrate : |
Yes |
CYP1A2 inhibitor : |
No |
CYP2C19 inhibitor : |
No |
CYP2C9 inhibitor : |
No |
CYP2D6 inhibitor : |
Yes |
CYP3A4 inhibitor : |
Yes |
Log Kp (skin permeation) : |
-2.99 cm/s |
Lipophilicity
Log Po/w (iLOGP) : |
0.0 |
Log Po/w (XLOGP3) : |
10.85 |
Log Po/w (WLOGP) : |
10.29 |
Log Po/w (MLOGP) : |
6.64 |
Log Po/w (SILICOS-IT) : |
8.04 |
Consensus Log Po/w : |
7.17 |
Druglikeness
Lipinski : |
2.0 |
Ghose : |
None |
Veber : |
0.0 |
Egan : |
1.0 |
Muegge : |
2.0 |
Bioavailability Score : |
0.17 |
Water Solubility
Log S (ESOL) : |
-11.08 |
Solubility : |
0.000000006 mg/ml ; 0.0 mol/l |
Class : |
Insoluble |
Log S (Ali) : |
-11.74 |
Solubility : |
0.0000000013 mg/ml ; 0.0 mol/l |
Class : |
Insoluble |
Log S (SILICOS-IT) : |
-13.75 |
Solubility : |
0.0 mg/ml ; 0.0 mol/l |
Class : |
Insoluble |
Medicinal Chemistry
PAINS : |
0.0 alert |
Brenk : |
1.0 alert |
Leadlikeness : |
2.0 |
Synthetic accessibility : |
6.44 |
Safety of [ 1375325-64-6 ]