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[ CAS No. 143945-65-7 ] 2-Amino-5-bromo-4-fluorobenzoic acid

Cat. No.: A231639
Chemical Structure| 143945-65-7
Chemical Structure| 143945-65-7
Structure of 143945-65-7 * Storage: Keep in dark place,Inert atmosphere,Room temperature
Purity Size Price USA Stock *0-1 Day Global Stock *5-7 Days Quantity
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* Storage: Keep in dark place,Inert atmosphere,Room temperature

* Shipping: Normal

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Product Details of [ 143945-65-7 ]

CAS No. :143945-65-7 MDL No. :MFCD06409112
Formula : C7H5BrFNO2 Boiling Point : No data available
Linear Structure Formula :- InChI Key :RPHQHEBXMAGQKB-UHFFFAOYSA-N
M.W : 234.02 Pubchem ID :28827257
Synonyms :

Calculated chemistry of [ 143945-65-7 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 12
Num. arom. heavy atoms : 6
Fraction Csp3 : 0.0
Num. rotatable bonds : 1
Num. H-bond acceptors : 3.0
Num. H-bond donors : 2.0
Molar Refractivity : 45.46
TPSA : 63.32 Ų

Pharmacokinetics

GI absorption : High
BBB permeant : Yes
P-gp substrate : No
CYP1A2 inhibitor : No
CYP2C19 inhibitor : No
CYP2C9 inhibitor : No
CYP2D6 inhibitor : No
CYP3A4 inhibitor : No
Log Kp (skin permeation) : -6.23 cm/s

Lipophilicity

Log Po/w (iLOGP) : 1.02
Log Po/w (XLOGP3) : 2.11
Log Po/w (WLOGP) : 2.3
Log Po/w (MLOGP) : 1.07
Log Po/w (SILICOS-IT) : 1.62
Consensus Log Po/w : 1.62

Druglikeness

Lipinski : 0.0
Ghose : None
Veber : 0.0
Egan : 0.0
Muegge : 0.0
Bioavailability Score : 0.56

Water Solubility

Log S (ESOL) : -2.92
Solubility : 0.279 mg/ml ; 0.00119 mol/l
Class : Soluble
Log S (Ali) : -3.07
Solubility : 0.199 mg/ml ; 0.00085 mol/l
Class : Soluble
Log S (SILICOS-IT) : -2.55
Solubility : 0.658 mg/ml ; 0.00281 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 1.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 1.49

Safety of [ 143945-65-7 ]

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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