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[ CAS No. 128259-68-7 ] {[proInfo.proName]}

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Chemical Structure| 128259-68-7
Chemical Structure| 128259-68-7
Structure of 128259-68-7 * Storage: {[proInfo.prStorage]}

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Product Details of [ 128259-68-7 ]

CAS No. :128259-68-7 MDL No. :MFCD09878120
Formula : C6H2Br2F2 Boiling Point : No data available
Linear Structure Formula :- InChI Key :QTZSKHCRRPXONC-UHFFFAOYSA-N
M.W : 271.88 Pubchem ID :44891181
Synonyms :

Calculated chemistry of [ 128259-68-7 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 10
Num. arom. heavy atoms : 6
Fraction Csp3 : 0.0
Num. rotatable bonds : 0
Num. H-bond acceptors : 2.0
Num. H-bond donors : 0.0
Molar Refractivity : 41.76
TPSA : 0.0 ?2

Pharmacokinetics

GI absorption : Low
BBB permeant : No
P-gp substrate : No
CYP1A2 inhibitor : Yes
CYP2C19 inhibitor : No
CYP2C9 inhibitor : No
CYP2D6 inhibitor : No
CYP3A4 inhibitor : No
Log Kp (skin permeation) : -5.47 cm/s

Lipophilicity

Log Po/w (iLOGP) : 2.37
Log Po/w (XLOGP3) : 3.5
Log Po/w (WLOGP) : 4.33
Log Po/w (MLOGP) : 4.63
Log Po/w (SILICOS-IT) : 4.05
Consensus Log Po/w : 3.78

Druglikeness

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

Water Solubility

Log S (ESOL) : -4.17
Solubility : 0.0182 mg/ml ; 0.0000669 mol/l
Class : Moderately soluble
Log S (Ali) : -3.18
Solubility : 0.178 mg/ml ; 0.000656 mol/l
Class : Soluble
Log S (SILICOS-IT) : -4.66
Solubility : 0.00595 mg/ml ; 0.0000219 mol/l
Class : Moderately soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 2.0 alert
Leadlikeness : 0.0
Synthetic accessibility : 1.7

Safety of [ 128259-68-7 ]

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