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[ CAS No. 42196-31-6 ] {[proInfo.proName]}

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Cat. No.: {[proInfo.prAm]}
Chemical Structure| 42196-31-6
Chemical Structure| 42196-31-6
Structure of 42196-31-6 * Storage: {[proInfo.prStorage]}

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Product Details of [ 42196-31-6 ]

CAS No. :42196-31-6 MDL No. :MFCD00013204
Formula : C4F6O4Pd Boiling Point : No data available
Linear Structure Formula :- InChI Key :PBDBXAQKXCXZCJ-UHFFFAOYSA-L
M.W : 332.45 Pubchem ID :2733347
Synonyms :
Chemical Name :Palladium(II) 2,2,2-trifluoroacetate

Calculated chemistry of [ 42196-31-6 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 15
Num. arom. heavy atoms : 0
Fraction Csp3 : 0.5
Num. rotatable bonds : 2
Num. H-bond acceptors : 10.0
Num. H-bond donors : 0.0
Molar Refractivity : 23.5
TPSA : 80.26 ?2

Pharmacokinetics

GI absorption : High
BBB permeant : No
P-gp substrate : No
CYP1A2 inhibitor : No
CYP2C19 inhibitor : No
CYP2C9 inhibitor : No
CYP2D6 inhibitor : No
CYP3A4 inhibitor : No
Log Kp (skin permeation) : -7.04 cm/s

Lipophilicity

Log Po/w (iLOGP) : 0.0
Log Po/w (XLOGP3) : 1.81
Log Po/w (WLOGP) : 1.12
Log Po/w (MLOGP) : 0.6
Log Po/w (SILICOS-IT) : 0.93
Consensus Log Po/w : 0.89

Druglikeness

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

Water Solubility

Log S (ESOL) : -2.91
Solubility : 0.409 mg/ml ; 0.00123 mol/l
Class : Soluble
Log S (Ali) : -3.11
Solubility : 0.255 mg/ml ; 0.000768 mol/l
Class : Soluble
Log S (SILICOS-IT) : -0.08
Solubility : 275.0 mg/ml ; 0.826 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 0.0 alert
Leadlikeness : 0.0
Synthetic accessibility : 1.0

Safety of [ 42196-31-6 ]

Signal Word:Warning Class:
Precautionary Statements:P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313 UN#:
Hazard Statements:H315-H319 Packing Group:
GHS Pictogram:
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