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[ CAS No. 15227-42-6 ] {[proInfo.proName]}

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Cat. No.: {[proInfo.prAm]}
Chemical Structure| 15227-42-6
Chemical Structure| 15227-42-6
Structure of 15227-42-6 * Storage: {[proInfo.prStorage]}

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Quality Control of [ 15227-42-6 ]

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Product Details of [ 15227-42-6 ]

CAS No. :15227-42-6 MDL No. :MFCD00058858
Formula : C10H10Cl2N2Pt Boiling Point : No data available
Linear Structure Formula :- InChI Key :FCJXCLMZOWAKNQ-UHFFFAOYSA-L
M.W : 424.18 Pubchem ID :498600
Synonyms :

Calculated chemistry of [ 15227-42-6 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 15
Num. arom. heavy atoms : 12
Fraction Csp3 : 0.0
Num. rotatable bonds : 2
Num. H-bond acceptors : 0.0
Num. H-bond donors : 0.0
Molar Refractivity : 60.18
TPSA : 9.86 ?2

Pharmacokinetics

GI absorption : Low
BBB permeant : No
P-gp substrate : Yes
CYP1A2 inhibitor : No
CYP2C19 inhibitor : Yes
CYP2C9 inhibitor : No
CYP2D6 inhibitor : No
CYP3A4 inhibitor : No
Log Kp (skin permeation) : -6.23 cm/s

Lipophilicity

Log Po/w (iLOGP) : 0.0
Log Po/w (XLOGP3) : 3.74
Log Po/w (WLOGP) : -3.83
Log Po/w (MLOGP) : 1.49
Log Po/w (SILICOS-IT) : 2.1
Consensus Log Po/w : 0.7

Druglikeness

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

Water Solubility

Log S (ESOL) : -5.29
Solubility : 0.00219 mg/ml ; 0.00000517 mol/l
Class : Moderately soluble
Log S (Ali) : -3.64
Solubility : 0.0973 mg/ml ; 0.000229 mol/l
Class : Soluble
Log S (SILICOS-IT) : -3.13
Solubility : 0.313 mg/ml ; 0.000738 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 0.0 alert
Leadlikeness : 2.0
Synthetic accessibility : 2.89

Safety of [ 15227-42-6 ]

Signal Word:Warning Class:
Precautionary Statements:P261-P280-P305+P351+P338 UN#:
Hazard Statements:H302+H312+H332-H315-H319-H335 Packing Group:
GHS Pictogram:
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