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[ CAS No. 391906-83-5 ] 3-Phenoxypyridin-2-amine

Cat. No.: A105754
Chemical Structure| 391906-83-5
Chemical Structure| 391906-83-5
Structure of 391906-83-5 * Storage: Keep in dark place,Inert atmosphere,2-8°C
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* Storage: Keep in dark place,Inert atmosphere,2-8°C

* Shipping: Normal

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Product Details of [ 391906-83-5 ]

CAS No. :391906-83-5 MDL No. :MFCD20693745
Formula : C11H10N2O Boiling Point : -
Linear Structure Formula :- InChI Key :MJTHRNDBNYACBS-UHFFFAOYSA-N
M.W : 186.21 Pubchem ID :11217668
Synonyms :

Calculated chemistry of [ 391906-83-5 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 14
Num. arom. heavy atoms : 12
Fraction Csp3 : 0.0
Num. rotatable bonds : 2
Num. H-bond acceptors : 2.0
Num. H-bond donors : 1.0
Molar Refractivity : 55.16
TPSA : 48.14 Ų

Pharmacokinetics

GI absorption : High
BBB permeant : Yes
P-gp substrate : No
CYP1A2 inhibitor : Yes
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) : 1.94
Log Po/w (XLOGP3) : 2.03
Log Po/w (WLOGP) : 2.46
Log Po/w (MLOGP) : 1.53
Log Po/w (SILICOS-IT) : 1.8
Consensus Log Po/w : 1.95

Druglikeness

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

Water Solubility

Log S (ESOL) : -2.78
Solubility : 0.312 mg/ml ; 0.00168 mol/l
Class : Soluble
Log S (Ali) : -2.67
Solubility : 0.399 mg/ml ; 0.00214 mol/l
Class : Soluble
Log S (SILICOS-IT) : -3.92
Solubility : 0.0222 mg/ml ; 0.000119 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 0.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 2.31

Safety of [ 391906-83-5 ]

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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