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[ CAS No. 181365-26-4 ] (1-(tert-Butoxycarbonyl)-1H-indol-3-yl)boronic acid

Cat. No.: A165202
Chemical Structure| 181365-26-4
Chemical Structure| 181365-26-4
Structure of 181365-26-4 * Storage: Inert atmosphere,Store in freezer, under -20°C
Purity Size Price USA Stock *0-1 Day Global Stock *5-7 Days Quantity
97% 100mg $9.00 Inquiry Inquiry
97% 250mg $11.00 Inquiry Inquiry
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* Storage: Inert atmosphere,Store in freezer, under -20°C

* Shipping: Normal

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Product Details of [ 181365-26-4 ]

CAS No. :181365-26-4 MDL No. :MFCD06656257
Formula : C13H16BNO4 Boiling Point : No data available
Linear Structure Formula :- InChI Key :UAGJZZDMFOTJRN-UHFFFAOYSA-N
M.W : 261.08 Pubchem ID :5233010
Synonyms :

Calculated chemistry of [ 181365-26-4 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 19
Num. arom. heavy atoms : 9
Fraction Csp3 : 0.31
Num. rotatable bonds : 4
Num. H-bond acceptors : 4.0
Num. H-bond donors : 2.0
Molar Refractivity : 73.97
TPSA : 71.69 Ų

Pharmacokinetics

GI absorption : High
BBB permeant : No
P-gp substrate : No
CYP1A2 inhibitor : No
CYP2C19 inhibitor : No
CYP2C9 inhibitor : No
CYP2D6 inhibitor : No
CYP3A4 inhibitor : No
Log Kp (skin permeation) : -6.35 cm/s

Lipophilicity

Log Po/w (iLOGP) : 0.0
Log Po/w (XLOGP3) : 2.17
Log Po/w (WLOGP) : 1.1
Log Po/w (MLOGP) : 0.95
Log Po/w (SILICOS-IT) : -0.5
Consensus Log Po/w : 0.75

Druglikeness

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

Water Solubility

Log S (ESOL) : -2.91
Solubility : 0.319 mg/ml ; 0.00122 mol/l
Class : Soluble
Log S (Ali) : -3.31
Solubility : 0.128 mg/ml ; 0.000491 mol/l
Class : Soluble
Log S (SILICOS-IT) : -2.25
Solubility : 1.46 mg/ml ; 0.0056 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 1.0 alert
Leadlikeness : 0.0
Synthetic accessibility : 2.62

Safety of [ 181365-26-4 ]

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

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