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[ CAS No. 2030437-90-0 ] 4,4'-Bis(trifluoromethyl)-2,2'-bipyridinebis[3,5-difluoro-2-[5-trifluoromethyl-2-pyridinyl)phenyl] iridium(III) hexafluorophosphate

Cat. No.: A1175853
Chemical Structure| 2030437-90-0
Chemical Structure| 2030437-90-0
Structure of 2030437-90-0 * Storage: Keep in dark place,Inert atmosphere,Room temperature
Purity Size Price USA Stock *0-1 Day Global Stock *5-7 Days Quantity
97% 50mg $66.00 Inquiry Inquiry
97% 100mg $80.00 Inquiry Inquiry
97% 250mg $191.00 Inquiry Inquiry
97% 1g $763.00 Inquiry Inquiry
97% 5g $2671.00 Inquiry Inquiry

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* Storage: Keep in dark place,Inert atmosphere,Room temperature

* Shipping: Normal

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Product Details of [ 2030437-90-0 ]

CAS No. :2030437-90-0 MDL No. :MFCD31707656
Formula : C36H16F22IrN4P Boiling Point : -
Linear Structure Formula :- InChI Key :ABYRRBVUWQVBSI-UHFFFAOYSA-N
M.W : 1145.69 Pubchem ID :156009258
Synonyms :

Calculated chemistry of [ 2030437-90-0 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 64
Num. arom. heavy atoms : 24
Fraction Csp3 : 0.11
Num. rotatable bonds : 4
Num. H-bond acceptors : 22.0
Num. H-bond donors : 0.0
Molar Refractivity : 183.11
TPSA : 53.86 Ų

Pharmacokinetics

GI absorption : High
BBB permeant : Yes
P-gp substrate : Yes
CYP1A2 inhibitor : No
CYP2C19 inhibitor : No
CYP2C9 inhibitor : No
CYP2D6 inhibitor : No
CYP3A4 inhibitor : No
Log Kp (skin permeation) : -3.19 cm/s

Lipophilicity

Log Po/w (iLOGP) : 0.0
Log Po/w (XLOGP3) : 14.23
Log Po/w (WLOGP) : 1.52
Log Po/w (MLOGP) : 6.98
Log Po/w (SILICOS-IT) : 7.29
Consensus Log Po/w : 6.0

Druglikeness

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

Water Solubility

Log S (ESOL) : -15.92
Solubility : 0.0 mg/ml ; 1.2e-16 mol/l
Class : Insoluble
Log S (Ali) : -15.45
Solubility : 0.0 mg/ml ; 3.56e-16 mol/l
Class : Insoluble
Log S (SILICOS-IT) : -10.3
Solubility : 0.0000000568 mg/ml ; 0.0 mol/l
Class : Insoluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 2.0 alert
Leadlikeness : 2.0
Synthetic accessibility : 5.98

Safety of [ 2030437-90-0 ]

Signal Word:Warning Class:N/A
Precautionary Statements:P261-P280-P301+P312-P302+P352-P305+P351+P338 UN#:N/A
Hazard Statements:H302-H315-H319-H335 Packing Group:N/A
GHS Pictogram:
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