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[ CAS No. 145965-14-6 ] (4-Bromonaphthalen-1-yl)boronic acid

Cat. No.: A127201
Chemical Structure| 145965-14-6
Chemical Structure| 145965-14-6
Structure of 145965-14-6 * Storage: Keep in dark place,Sealed in dry,Room Temperature
Purity Size Price USA Stock *0-1 Day Global Stock *5-7 Days Quantity
97% 1g $14.00 Inquiry Inquiry
97% 5g $25.00 Inquiry Inquiry
97% 10g $44.00 Inquiry Inquiry
97% 25g $81.00 Inquiry Inquiry
97% 100g $311.00 Inquiry Inquiry

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* Storage: Keep in dark place,Sealed in dry,Room Temperature

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Product Details of [ 145965-14-6 ]

CAS No. :145965-14-6 MDL No. :MFCD08701764
Formula : C10H8BBrO2 Boiling Point : -
Linear Structure Formula :- InChI Key :DKKOMUVRCPKTFX-UHFFFAOYSA-N
M.W : 250.88 Pubchem ID :23005424
Synonyms :

Calculated chemistry of [ 145965-14-6 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 14
Num. arom. heavy atoms : 10
Fraction Csp3 : 0.0
Num. rotatable bonds : 1
Num. H-bond acceptors : 2.0
Num. H-bond donors : 2.0
Molar Refractivity : 61.47
TPSA : 40.46 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) : -5.86 cm/s

Lipophilicity

Log Po/w (iLOGP) : 0.0
Log Po/w (XLOGP3) : 2.77
Log Po/w (WLOGP) : 1.28
Log Po/w (MLOGP) : 2.05
Log Po/w (SILICOS-IT) : 1.0
Consensus Log Po/w : 1.42

Druglikeness

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

Water Solubility

Log S (ESOL) : -3.6
Solubility : 0.0626 mg/ml ; 0.000249 mol/l
Class : Soluble
Log S (Ali) : -3.28
Solubility : 0.133 mg/ml ; 0.000531 mol/l
Class : Soluble
Log S (SILICOS-IT) : -3.82
Solubility : 0.0379 mg/ml ; 0.000151 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 1.0 alert
Leadlikeness : 0.0
Synthetic accessibility : 2.01

Safety of [ 145965-14-6 ]

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