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[ CAS No. 460345-16-8 ] {[proInfo.proName]}

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Cat. No.: {[proInfo.prAm]}
Chemical Structure| 460345-16-8
Chemical Structure| 460345-16-8
Structure of 460345-16-8 * Storage: {[proInfo.prStorage]}

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Quality Control of [ 460345-16-8 ]

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Product Details of [ 460345-16-8 ]

CAS No. :460345-16-8 MDL No. :MFCD03427621
Formula : C11H19F3N2O3S Boiling Point : No data available
Linear Structure Formula :- InChI Key :RABFGPMWVQNDHI-UHFFFAOYSA-M
M.W : 316.34 Pubchem ID :2734247
Synonyms :

Calculated chemistry of [ 460345-16-8 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 20
Num. arom. heavy atoms : 5
Fraction Csp3 : 0.73
Num. rotatable bonds : 6
Num. H-bond acceptors : 6.0
Num. H-bond donors : 0.0
Molar Refractivity : 69.12
TPSA : 74.39 ?2

Pharmacokinetics

GI absorption : High
BBB permeant : Yes
P-gp substrate : No
CYP1A2 inhibitor : No
CYP2C19 inhibitor : No
CYP2C9 inhibitor : No
CYP2D6 inhibitor : No
CYP3A4 inhibitor : No
Log Kp (skin permeation) : -6.29 cm/s

Lipophilicity

Log Po/w (iLOGP) : -2.9
Log Po/w (XLOGP3) : 2.73
Log Po/w (WLOGP) : 4.29
Log Po/w (MLOGP) : 1.22
Log Po/w (SILICOS-IT) : 1.6
Consensus Log Po/w : 1.39

Druglikeness

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

Water Solubility

Log S (ESOL) : -3.31
Solubility : 0.155 mg/ml ; 0.00049 mol/l
Class : Soluble
Log S (Ali) : -3.95
Solubility : 0.0358 mg/ml ; 0.000113 mol/l
Class : Soluble
Log S (SILICOS-IT) : -2.38
Solubility : 1.32 mg/ml ; 0.00418 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 3.0 alert
Leadlikeness : 0.0
Synthetic accessibility : 2.29

Safety of [ 460345-16-8 ]

Signal Word:Warning Class:
Precautionary Statements:P261-P305+P351+P338 UN#:
Hazard Statements:H315-H319-H335 Packing Group:
GHS Pictogram:
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