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[ CAS No. 32717-95-6 ] {[proInfo.proName]}

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Chemical Structure| 32717-95-6
Chemical Structure| 32717-95-6
Structure of 32717-95-6 * Storage: {[proInfo.prStorage]}

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Quality Control of [ 32717-95-6 ]

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Product Details of [ 32717-95-6 ]

CAS No. :32717-95-6 MDL No. :MFCD23704409
Formula : C16H16Cl2Cu2 Boiling Point : No data available
Linear Structure Formula :- InChI Key :-
M.W : 406.30 Pubchem ID :-
Synonyms :

Calculated chemistry of [ 32717-95-6 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 20
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 : 78.27
TPSA : 0.0 ?2

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) : -7.11 cm/s

Lipophilicity

Log Po/w (iLOGP) : 0.0
Log Po/w (XLOGP3) : 2.35
Log Po/w (WLOGP) : -1.64
Log Po/w (MLOGP) : 5.17
Log Po/w (SILICOS-IT) : 3.71
Consensus Log Po/w : 1.92

Druglikeness

Lipinski : 1.0
Ghose : None
Veber : 0.0
Egan : 0.0
Muegge : 2.0
Bioavailability Score : 0.55

Water Solubility

Log S (ESOL) : -3.84
Solubility : 0.0588 mg/ml ; 0.000145 mol/l
Class : Soluble
Log S (Ali) : -1.99
Solubility : 4.16 mg/ml ; 0.0102 mol/l
Class : Very soluble
Log S (SILICOS-IT) : -5.78
Solubility : 0.000668 mg/ml ; 0.00000164 mol/l
Class : Moderately soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 0.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 4.14

Safety of [ 32717-95-6 ]

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