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[ CAS No. 152152-19-7 ] {[proInfo.proName]}

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Cat. No.: {[proInfo.prAm]}
Chemical Structure| 152152-19-7
Chemical Structure| 152152-19-7
Structure of 152152-19-7 * Storage: {[proInfo.prStorage]}

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Quality Control of [ 152152-19-7 ]

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Product Details of [ 152152-19-7 ]

CAS No. :152152-19-7 MDL No. :MFCD00083529
Formula : C9H5F3O2 Boiling Point : No data available
Linear Structure Formula :- InChI Key :PHIWFMZBVZFEQJ-OWOJBTEDSA-N
M.W : 202.13 Pubchem ID :5708779
Synonyms :

Calculated chemistry of [ 152152-19-7 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 14
Num. arom. heavy atoms : 6
Fraction Csp3 : 0.0
Num. rotatable bonds : 2
Num. H-bond acceptors : 5.0
Num. H-bond donors : 1.0
Molar Refractivity : 42.99
TPSA : 37.3 ?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) : -5.99 cm/s

Lipophilicity

Log Po/w (iLOGP) : 1.69
Log Po/w (XLOGP3) : 2.18
Log Po/w (WLOGP) : 3.35
Log Po/w (MLOGP) : 3.15
Log Po/w (SILICOS-IT) : 3.0
Consensus Log Po/w : 2.67

Druglikeness

Lipinski : 0.0
Ghose : None
Veber : 0.0
Egan : 0.0
Muegge : 0.0
Bioavailability Score : 0.56

Water Solubility

Log S (ESOL) : -2.65
Solubility : 0.451 mg/ml ; 0.00223 mol/l
Class : Soluble
Log S (Ali) : -2.6
Solubility : 0.512 mg/ml ; 0.00253 mol/l
Class : Soluble
Log S (SILICOS-IT) : -2.7
Solubility : 0.4 mg/ml ; 0.00198 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 2.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 1.94

Safety of [ 152152-19-7 ]

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