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[ CAS No. 929252-65-3 ] tert-Butyl 4-(((4-(4-amino-2-fluorophenoxy)-6-methoxyquinolin-7-yl)oxy)methyl)piperidine-1-carboxylate

Cat. No.: A118348
Chemical Structure| 929252-65-3
Chemical Structure| 929252-65-3
Structure of 929252-65-3 * Storage: Keep in dark place,Inert atmosphere,2-8°C
Purity Size Price USA Stock *0-1 Day Global Stock *5-7 Days Quantity
97% 250mg $46.00 Inquiry Inquiry
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* Storage: Keep in dark place,Inert atmosphere,2-8°C

* Shipping: Normal

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Product Details of [ 929252-65-3 ]

CAS No. :929252-65-3 MDL No. :MFCD26386170
Formula : C27H32FN3O5 Boiling Point : -
Linear Structure Formula :- InChI Key :HODLDQAFNUUMAJ-UHFFFAOYSA-N
M.W : 497.56 Pubchem ID :59342474
Synonyms :

Calculated chemistry of [ 929252-65-3 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 36
Num. arom. heavy atoms : 16
Fraction Csp3 : 0.41
Num. rotatable bonds : 9
Num. H-bond acceptors : 7.0
Num. H-bond donors : 1.0
Molar Refractivity : 140.08
TPSA : 96.14 Ų

Pharmacokinetics

GI absorption : High
BBB permeant : No
P-gp substrate : Yes
CYP1A2 inhibitor : No
CYP2C19 inhibitor : Yes
CYP2C9 inhibitor : Yes
CYP2D6 inhibitor : Yes
CYP3A4 inhibitor : No
Log Kp (skin permeation) : -5.99 cm/s

Lipophilicity

Log Po/w (iLOGP) : 4.55
Log Po/w (XLOGP3) : 4.71
Log Po/w (WLOGP) : 5.83
Log Po/w (MLOGP) : 2.91
Log Po/w (SILICOS-IT) : 4.17
Consensus Log Po/w : 4.43

Druglikeness

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

Water Solubility

Log S (ESOL) : -5.63
Solubility : 0.00117 mg/ml ; 0.00000236 mol/l
Class : Moderately soluble
Log S (Ali) : -6.46
Solubility : 0.000173 mg/ml ; 0.000000349 mol/l
Class : Poorly soluble
Log S (SILICOS-IT) : -7.37
Solubility : 0.0000213 mg/ml ; 0.0000000428 mol/l
Class : Poorly soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 1.0 alert
Leadlikeness : 3.0
Synthetic accessibility : 3.62

Safety of [ 929252-65-3 ]

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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[ 929252-65-3 ]

Fluorinated Building Blocks

Chemical Structure| 1000053-44-0

[ 1000053-44-0 ]

tert-Butyl 4-((4-amino-2-fluorophenoxy)methyl)piperidine-1-carboxylate

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Related Parent Nucleus of
[ 929252-65-3 ]

Piperidines

Chemical Structure| 1000053-44-0

[ 1000053-44-0 ]

tert-Butyl 4-((4-amino-2-fluorophenoxy)methyl)piperidine-1-carboxylate

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