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[ CAS No. 1334411-79-8 ] 4-Bromo-2-(2,6-dichlorophenyl)-1H-imidazo[4,5-c]pyridine

Cat. No.: A220115
Chemical Structure| 1334411-79-8
Chemical Structure| 1334411-79-8
Structure of 1334411-79-8 * Storage: Inert atmosphere,Room Temperature
Purity Size Price USA Stock *0-1 Day Global Stock *5-7 Days Quantity
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98% 1g $57.00 Inquiry Inquiry

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Product Details of [ 1334411-79-8 ]

CAS No. :1334411-79-8 MDL No. :MFCD22690815
Formula : C12H6BrCl2N3 Boiling Point : -
Linear Structure Formula :- InChI Key :MTTMYYSIMBNURF-UHFFFAOYSA-N
M.W : 343.01 Pubchem ID :71464215
Synonyms :

Calculated chemistry of [ 1334411-79-8 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 18
Num. arom. heavy atoms : 15
Fraction Csp3 : 0.0
Num. rotatable bonds : 1
Num. H-bond acceptors : 2.0
Num. H-bond donors : 1.0
Molar Refractivity : 77.04
TPSA : 41.57 Ų

Pharmacokinetics

GI absorption : High
BBB permeant : Yes
P-gp substrate : Yes
CYP1A2 inhibitor : Yes
CYP2C19 inhibitor : Yes
CYP2C9 inhibitor : Yes
CYP2D6 inhibitor : No
CYP3A4 inhibitor : Yes
Log Kp (skin permeation) : -5.3 cm/s

Lipophilicity

Log Po/w (iLOGP) : 2.17
Log Po/w (XLOGP3) : 4.36
Log Po/w (WLOGP) : 4.69
Log Po/w (MLOGP) : 3.38
Log Po/w (SILICOS-IT) : 4.92
Consensus Log Po/w : 3.9

Druglikeness

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

Water Solubility

Log S (ESOL) : -5.26
Solubility : 0.00187 mg/ml ; 0.00000544 mol/l
Class : Moderately soluble
Log S (Ali) : -4.95
Solubility : 0.00386 mg/ml ; 0.0000113 mol/l
Class : Moderately soluble
Log S (SILICOS-IT) : -7.11
Solubility : 0.0000269 mg/ml ; 0.0000000785 mol/l
Class : Poorly soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 1.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 2.33

Safety of [ 1334411-79-8 ]

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