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[ CAS No. 886759-09-7 ] {[proInfo.proName]}

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Cat. No.: {[proInfo.prAm]}
3d Animation Molecule Structure of 886759-09-7
Chemical Structure| 886759-09-7
Chemical Structure| 886759-09-7
Structure of 886759-09-7 * Storage: {[proInfo.prStorage]}
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Product Details of [ 886759-09-7 ]

CAS No. :886759-09-7 MDL No. :
Formula : C6Br2I4 Boiling Point : -
Linear Structure Formula :- InChI Key :XPGHEGXNGYFMQF-UHFFFAOYSA-N
M.W : 739.49 Pubchem ID :20096083
Synonyms :

Calculated chemistry of [ 886759-09-7 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 12
Num. arom. heavy atoms : 6
Fraction Csp3 : 0.0
Num. rotatable bonds : 0
Num. H-bond acceptors : 0.0
Num. H-bond donors : 0.0
Molar Refractivity : 92.71
TPSA : 0.0 Ų

Pharmacokinetics

GI absorption : Low
BBB permeant : No
P-gp substrate : No
CYP1A2 inhibitor : No
CYP2C19 inhibitor : No
CYP2C9 inhibitor : Yes
CYP2D6 inhibitor : No
CYP3A4 inhibitor : No
Log Kp (skin permeation) : -6.62 cm/s

Lipophilicity

Log Po/w (iLOGP) : 3.08
Log Po/w (XLOGP3) : 5.9
Log Po/w (WLOGP) : 5.63
Log Po/w (MLOGP) : 7.03
Log Po/w (SILICOS-IT) : 7.12
Consensus Log Po/w : 5.75

Druglikeness

Lipinski : 2.0
Ghose : None
Veber : 0.0
Egan : 0.0
Muegge : 3.0
Bioavailability Score : 0.17

Water Solubility

Log S (ESOL) : -8.51
Solubility : 0.00000228 mg/ml ; 0.0000000031 mol/l
Class : Poorly soluble
Log S (Ali) : -5.67
Solubility : 0.00157 mg/ml ; 0.00000212 mol/l
Class : Moderately soluble
Log S (SILICOS-IT) : -7.4
Solubility : 0.0000296 mg/ml ; 0.0000000401 mol/l
Class : Poorly soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 3.0 alert
Leadlikeness : 2.0
Synthetic accessibility : 2.75

Safety of [ 886759-09-7 ]

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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