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[ CAS No. 306934-95-2 ] (5-Phenylthiophen-2-yl)boronic acid

Cat. No.: A115909
Chemical Structure| 306934-95-2
Chemical Structure| 306934-95-2
Structure of 306934-95-2 * Storage: Keep in dark place,Inert atmosphere,Store in freezer, under -20°C
Purity Size Price USA Stock *0-1 Day Global Stock *5-7 Days Quantity
95% 100mg $12.00 Inquiry Inquiry
95% 250mg $19.00 Inquiry Inquiry
95% 1g $35.00 Inquiry Inquiry
95% 5g $117.00 Inquiry Inquiry
95% 25g $388.00 Inquiry Inquiry

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* Storage: Keep in dark place,Inert atmosphere,Store in freezer, under -20°C

* Shipping: Normal

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Product Details of [ 306934-95-2 ]

CAS No. :306934-95-2 MDL No. :MFCD01114643
Formula : C10H9BO2S Boiling Point : -
Linear Structure Formula :(C6H5)C4H2S(B(OH)2) InChI Key :RBSMKSPHBJFXCJ-UHFFFAOYSA-N
M.W : 204.05 Pubchem ID :2776315
Synonyms :

Calculated chemistry of [ 306934-95-2 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 14
Num. arom. heavy atoms : 11
Fraction Csp3 : 0.0
Num. rotatable bonds : 2
Num. H-bond acceptors : 2.0
Num. H-bond donors : 2.0
Molar Refractivity : 59.58
TPSA : 68.7 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) : -5.98 cm/s

Lipophilicity

Log Po/w (iLOGP) : 0.0
Log Po/w (XLOGP3) : 2.2
Log Po/w (WLOGP) : 1.09
Log Po/w (MLOGP) : 0.95
Log Po/w (SILICOS-IT) : 1.56
Consensus Log Po/w : 1.16

Druglikeness

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

Water Solubility

Log S (ESOL) : -2.94
Solubility : 0.234 mg/ml ; 0.00115 mol/l
Class : Soluble
Log S (Ali) : -3.28
Solubility : 0.108 mg/ml ; 0.000529 mol/l
Class : Soluble
Log S (SILICOS-IT) : -3.08
Solubility : 0.17 mg/ml ; 0.000832 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 1.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 2.57

Safety of [ 306934-95-2 ]

Signal Word:Warning Class:N/A
Precautionary Statements:P280-P305+P351+P338 UN#:N/A
Hazard Statements:H302 Packing Group:N/A
GHS Pictogram:

Application In Synthesis of [ 306934-95-2 ]

* All experimental methods are cited from the reference, please refer to the original source for details. We do not guarantee the accuracy of the content in the reference.

  • Downstream synthetic route of [ 306934-95-2 ]
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