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[ CAS No. 155371-19-0 ] {[proInfo.proName]}

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Chemical Structure| 155371-19-0
Chemical Structure| 155371-19-0
Structure of 155371-19-0 * Storage: {[proInfo.prStorage]}

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Quality Control of [ 155371-19-0 ]

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Product Details of [ 155371-19-0 ]

CAS No. :155371-19-0 MDL No. :MFCD00216703
Formula : C6H11F6N2P Boiling Point : No data available
Linear Structure Formula :- InChI Key :DPDAKOVGQUGTHH-UHFFFAOYSA-N
M.W : 256.13 Pubchem ID :2758873
Synonyms :

Calculated chemistry of [ 155371-19-0 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 15
Num. arom. heavy atoms : 5
Fraction Csp3 : 0.5
Num. rotatable bonds : 1
Num. H-bond acceptors : 6.0
Num. H-bond donors : 0.0
Molar Refractivity : 47.66
TPSA : 22.4 ?2

Pharmacokinetics

GI absorption : High
BBB permeant : No
P-gp substrate : No
CYP1A2 inhibitor : Yes
CYP2C19 inhibitor : No
CYP2C9 inhibitor : No
CYP2D6 inhibitor : No
CYP3A4 inhibitor : Yes
Log Kp (skin permeation) : -5.26 cm/s

Lipophilicity

Log Po/w (iLOGP) : 0.0
Log Po/w (XLOGP3) : 3.66
Log Po/w (WLOGP) : 6.24
Log Po/w (MLOGP) : 1.32
Log Po/w (SILICOS-IT) : 0.26
Consensus Log Po/w : 2.3

Druglikeness

Lipinski : 0.0
Ghose : None
Veber : 0.0
Egan : 1.0
Muegge : 0.0
Bioavailability Score : 0.55

Water Solubility

Log S (ESOL) : -3.91
Solubility : 0.0312 mg/ml ; 0.000122 mol/l
Class : Soluble
Log S (Ali) : -3.82
Solubility : 0.0388 mg/ml ; 0.000152 mol/l
Class : Soluble
Log S (SILICOS-IT) : -0.71
Solubility : 50.4 mg/ml ; 0.197 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 2.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 1.75

Safety of [ 155371-19-0 ]

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