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[ CAS No. 1214332-47-4 ] Methyl 6-bromo-3-fluoropicolinate

Cat. No.: A231574
Chemical Structure| 1214332-47-4
Chemical Structure| 1214332-47-4
Structure of 1214332-47-4 * Storage: Inert atmosphere,Room Temperature
Purity Size Price USA Stock *0-1 Day Global Stock *5-7 Days Quantity
97% 100mg $48.00 Inquiry Inquiry
97% 250mg $78.00 Inquiry Inquiry
97% 1g $259.00 Inquiry Inquiry
97% 5g $1269.00 Inquiry Inquiry

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* Storage: Inert atmosphere,Room Temperature

* Shipping: Normal

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Product Details of [ 1214332-47-4 ]

CAS No. :1214332-47-4 MDL No. :MFCD14698123
Formula : C7H5BrFNO2 Boiling Point : No data available
Linear Structure Formula :- InChI Key :DFERTYLJNAEEPK-UHFFFAOYSA-N
M.W : 234.02 Pubchem ID :46311217
Synonyms :

Calculated chemistry of [ 1214332-47-4 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 12
Num. arom. heavy atoms : 6
Fraction Csp3 : 0.14
Num. rotatable bonds : 2
Num. H-bond acceptors : 4.0
Num. H-bond donors : 0.0
Molar Refractivity : 43.17
TPSA : 39.19 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) : -6.19 cm/s

Lipophilicity

Log Po/w (iLOGP) : 1.97
Log Po/w (XLOGP3) : 2.16
Log Po/w (WLOGP) : 2.19
Log Po/w (MLOGP) : 1.51
Log Po/w (SILICOS-IT) : 2.31
Consensus Log Po/w : 2.03

Druglikeness

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

Water Solubility

Log S (ESOL) : -2.89
Solubility : 0.302 mg/ml ; 0.00129 mol/l
Class : Soluble
Log S (Ali) : -2.62
Solubility : 0.567 mg/ml ; 0.00242 mol/l
Class : Soluble
Log S (SILICOS-IT) : -3.24
Solubility : 0.135 mg/ml ; 0.000575 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 1.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 2.03

Safety of [ 1214332-47-4 ]

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