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[ CAS No. 63295-48-7 ] {[proInfo.proName]}

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Chemical Structure| 63295-48-7
Chemical Structure| 63295-48-7
Structure of 63295-48-7 * Storage: {[proInfo.prStorage]}

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Product Details of [ 63295-48-7 ]

CAS No. :63295-48-7 MDL No. :MFCD15144785
Formula : C3F9FeO9S3 Boiling Point : -
Linear Structure Formula :- InChI Key :OSHOQERNFGVVRH-UHFFFAOYSA-K
M.W : 503.05 Pubchem ID :11656316
Synonyms :

Calculated chemistry of [ 63295-48-7 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 25
Num. arom. heavy atoms : 0
Fraction Csp3 : 1.0
Num. rotatable bonds : 3
Num. H-bond acceptors : 18.0
Num. H-bond donors : 0.0
Molar Refractivity : 47.39
TPSA : 196.74 ?2

Pharmacokinetics

GI absorption : Low
BBB permeant : No
P-gp substrate : Yes
CYP1A2 inhibitor : No
CYP2C19 inhibitor : No
CYP2C9 inhibitor : No
CYP2D6 inhibitor : No
CYP3A4 inhibitor : No
Log Kp (skin permeation) : -8.68 cm/s

Lipophilicity

Log Po/w (iLOGP) : -34.0
Log Po/w (XLOGP3) : 0.97
Log Po/w (WLOGP) : 7.18
Log Po/w (MLOGP) : -0.35
Log Po/w (SILICOS-IT) : 2.23
Consensus Log Po/w : -4.79

Druglikeness

Lipinski : 1.0
Ghose : None
Veber : 1.0
Egan : 2.0
Muegge : 3.0
Bioavailability Score : 0.55

Water Solubility

Log S (ESOL) : -3.37
Solubility : 0.214 mg/ml ; 0.000425 mol/l
Class : Soluble
Log S (Ali) : -4.69
Solubility : 0.0103 mg/ml ; 0.0000204 mol/l
Class : Moderately soluble
Log S (SILICOS-IT) : -0.1
Solubility : 401.0 mg/ml ; 0.798 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 3.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 2.59

Safety of [ 63295-48-7 ]

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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