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[ CAS No. 418762-26-2 ] 4-Bromo-2-fluoro-5-methylaniline

Cat. No.: A162025
Chemical Structure| 418762-26-2
Chemical Structure| 418762-26-2
Structure of 418762-26-2 * Storage: Keep in dark place,Inert atmosphere,Room temperature
Purity Size Price USA Stock *0-1 Day Global Stock *5-7 Days Quantity
98% 1g $6.00 Inquiry Inquiry
98% 5g $15.00 Inquiry Inquiry
98% 10g $29.00 Inquiry Inquiry
98% 25g $40.00 Inquiry Inquiry
98% 100g $159.00 Inquiry Inquiry
98% 500g $557.00 Inquiry Inquiry

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

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Product Details of [ 418762-26-2 ]

CAS No. :418762-26-2 MDL No. :MFCD04973744
Formula : C7H7BrFN Boiling Point : No data available
Linear Structure Formula :- InChI Key :NBRIVALIHOZFTH-UHFFFAOYSA-N
M.W : 204.04 Pubchem ID :7018040
Synonyms :

Calculated chemistry of [ 418762-26-2 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 10
Num. arom. heavy atoms : 6
Fraction Csp3 : 0.14
Num. rotatable bonds : 0
Num. H-bond acceptors : 1.0
Num. H-bond donors : 1.0
Molar Refractivity : 43.47
TPSA : 26.02 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) : -5.84 cm/s

Lipophilicity

Log Po/w (iLOGP) : 1.93
Log Po/w (XLOGP3) : 2.4
Log Po/w (WLOGP) : 2.91
Log Po/w (MLOGP) : 2.99
Log Po/w (SILICOS-IT) : 2.67
Consensus Log Po/w : 2.58

Druglikeness

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

Water Solubility

Log S (ESOL) : -3.06
Solubility : 0.177 mg/ml ; 0.000869 mol/l
Class : Soluble
Log S (Ali) : -2.59
Solubility : 0.527 mg/ml ; 0.00258 mol/l
Class : Soluble
Log S (SILICOS-IT) : -3.56
Solubility : 0.0558 mg/ml ; 0.000274 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 1.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 1.31

Safety of [ 418762-26-2 ]

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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