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[ CAS No. 15750-47-7 ] {[proInfo.proName]}

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Cat. No.: {[proInfo.prAm]}
Chemical Structure| 15750-47-7
Chemical Structure| 15750-47-7
Structure of 15750-47-7 * Storage: {[proInfo.prStorage]}
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Product Details of [ 15750-47-7 ]

CAS No. :15750-47-7 MDL No. :MFCD00150139
Formula : C6H2Ce2O13 Boiling Point : -
Linear Structure Formula :- InChI Key :-
M.W : 562.30 Pubchem ID :-
Synonyms :

Calculated chemistry of [ 15750-47-7 ]

Physicochemical Properties

Num. heavy atoms : 21
Num. arom. heavy atoms : 0
Fraction Csp3 : 0.0
Num. rotatable bonds : 3
Num. H-bond acceptors : 13.0
Num. H-bond donors : 7.0
Molar Refractivity : 48.86
TPSA : 233.03 Ų

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) : -10.64 cm/s

Lipophilicity

Log Po/w (iLOGP) : 0.0
Log Po/w (XLOGP3) : -1.23
Log Po/w (WLOGP) : -2.6
Log Po/w (MLOGP) : -3.9
Log Po/w (SILICOS-IT) : -0.97
Consensus Log Po/w : -1.74

Druglikeness

Lipinski : 3.0
Ghose : None
Veber : 1.0
Egan : 1.0
Muegge : 3.0
Bioavailability Score : 0.11

Water Solubility

Log S (ESOL) : -2.39
Solubility : 2.31 mg/ml ; 0.00407 mol/l
Class : Soluble
Log S (Ali) : -3.17
Solubility : 0.386 mg/ml ; 0.000678 mol/l
Class : Soluble
Log S (SILICOS-IT) : 1.47
Solubility : 16800.0 mg/ml ; 29.5 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 1.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 1.74

Safety of [ 15750-47-7 ]

Signal Word:Warning Class:N/A
Precautionary Statements:P280 UN#:N/A
Hazard Statements:H302+H312 Packing Group:N/A
GHS Pictogram:
Same Skeleton Products
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