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[ CAS No. 12081-22-0 ] {[proInfo.proName]}

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Cat. No.: {[proInfo.prAm]}
Chemical Structure| 12081-22-0
Chemical Structure| 12081-22-0
Structure of 12081-22-0 * Storage: {[proInfo.prStorage]}
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Product Details of [ 12081-22-0 ]

CAS No. :12081-22-0 MDL No. :MFCD01074457
Formula : C8H14Cl2Pd2 Boiling Point : -
Linear Structure Formula :- InChI Key :-
M.W : 393.94 Pubchem ID :-
Synonyms :

Calculated chemistry of [ 12081-22-0 ]

Physicochemical Properties

Num. heavy atoms : 12
Num. arom. heavy atoms : 0
Fraction Csp3 : 0.5
Num. rotatable bonds : 0
Num. H-bond acceptors : 0.0
Num. H-bond donors : 0.0
Molar Refractivity : 48.05
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 : Yes
Log Kp (skin permeation) : -5.73 cm/s

Lipophilicity

Log Po/w (iLOGP) : 0.0
Log Po/w (XLOGP3) : 4.19
Log Po/w (WLOGP) : -2.93
Log Po/w (MLOGP) : 3.27
Log Po/w (SILICOS-IT) : 1.81
Consensus Log Po/w : 1.27

Druglikeness

Lipinski : 0.0
Ghose : None
Veber : 0.0
Egan : 0.0
Muegge : 1.0
Bioavailability Score : 0.55

Water Solubility

Log S (ESOL) : -4.92
Solubility : 0.00471 mg/ml ; 0.000012 mol/l
Class : Moderately soluble
Log S (Ali) : -3.9
Solubility : 0.0497 mg/ml ; 0.000126 mol/l
Class : Soluble
Log S (SILICOS-IT) : -3.29
Solubility : 0.201 mg/ml ; 0.000509 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 2.0 alert
Leadlikeness : 2.0
Synthetic accessibility : 4.03

Safety of [ 12081-22-0 ]

Signal Word:Warning Class:N/A
Precautionary Statements:P261-P305+P351+P338 UN#:N/A
Hazard Statements:H315-H319-H335 Packing Group:N/A
GHS Pictogram:
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