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[ CAS No. 175136-62-6 ] {[proInfo.proName]}

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Chemical Structure| 175136-62-6
Chemical Structure| 175136-62-6
Structure of 175136-62-6 * Storage: {[proInfo.prStorage]}

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Product Details of [ 175136-62-6 ]

CAS No. :175136-62-6 MDL No. :MFCD00042428
Formula : C24H9F18P Boiling Point : -
Linear Structure Formula :- InChI Key :ITJHLZVYLDBFOJ-UHFFFAOYSA-N
M.W : 670.27 Pubchem ID :2778032
Synonyms :
Chemical Name :Tris(3,5-bis(trifluoromethyl)phenyl)phosphine

Calculated chemistry of [ 175136-62-6 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 43
Num. arom. heavy atoms : 18
Fraction Csp3 : 0.25
Num. rotatable bonds : 9
Num. H-bond acceptors : 18.0
Num. H-bond donors : 0.0
Molar Refractivity : 115.16
TPSA : 13.59 ?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) : -3.35 cm/s

Lipophilicity

Log Po/w (iLOGP) : 4.56
Log Po/w (XLOGP3) : 9.91
Log Po/w (WLOGP) : 16.47
Log Po/w (MLOGP) : 9.33
Log Po/w (SILICOS-IT) : 12.03
Consensus Log Po/w : 10.46

Druglikeness

Lipinski : 2.0
Ghose : None
Veber : 0.0
Egan : 1.0
Muegge : 4.0
Bioavailability Score : 0.17

Water Solubility

Log S (ESOL) : -9.95
Solubility : 0.0000000744 mg/ml ; 0.0000000001 mol/l
Class : Poorly soluble
Log S (Ali) : -10.12
Solubility : 0.0000000508 mg/ml ; 0.0000000001 mol/l
Class : Insoluble
Log S (SILICOS-IT) : -12.46
Solubility : 0.0000000002 mg/ml ; 0.0 mol/l
Class : Insoluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 1.0 alert
Leadlikeness : 3.0
Synthetic accessibility : 4.39

Safety of [ 175136-62-6 ]

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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