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[ CAS No. 12145-48-1 ] {[proInfo.proName]}

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Chemical Structure| 12145-48-1
Chemical Structure| 12145-48-1
Structure of 12145-48-1 * Storage: {[proInfo.prStorage]}

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Quality Control of [ 12145-48-1 ]

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Product Details of [ 12145-48-1 ]

CAS No. :12145-48-1 MDL No. :MFCD00058724
Formula : C8H12Br2Pt Boiling Point : -
Linear Structure Formula :- InChI Key :-
M.W : 463.07 Pubchem ID :-
Synonyms :

Calculated chemistry of [ 12145-48-1 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 11
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 : 55.36
TPSA : 0.0 ?2

Pharmacokinetics

GI absorption : Low
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) : -5.5 cm/s

Lipophilicity

Log Po/w (iLOGP) : 0.0
Log Po/w (XLOGP3) : 5.1
Log Po/w (WLOGP) : 4.36
Log Po/w (MLOGP) : 3.56
Log Po/w (SILICOS-IT) : 2.28
Consensus Log Po/w : 3.06

Druglikeness

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

Water Solubility

Log S (ESOL) : -5.92
Solubility : 0.000552 mg/ml ; 0.00000119 mol/l
Class : Moderately soluble
Log S (Ali) : -4.84
Solubility : 0.00664 mg/ml ; 0.0000143 mol/l
Class : Moderately soluble
Log S (SILICOS-IT) : -1.1
Solubility : 36.5 mg/ml ; 0.0789 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 1.0 alert
Leadlikeness : 2.0
Synthetic accessibility : 3.09

Safety of [ 12145-48-1 ]

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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