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[ CAS No. 148355-75-3 ] {[proInfo.proName]}

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Chemical Structure| 148355-75-3
Chemical Structure| 148355-75-3
Structure of 148355-75-3 * Storage: {[proInfo.prStorage]}

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Quality Control of [ 148355-75-3 ]

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Product Details of [ 148355-75-3 ]

CAS No. :148355-75-3 MDL No. :MFCD02179478
Formula : C7H10BNO4S Boiling Point : No data available
Linear Structure Formula :- InChI Key :XUIQQIRLFMCWLN-UHFFFAOYSA-N
M.W : 215.03 Pubchem ID :2773535
Synonyms :
Chemical Name :3-(Methylsulfonylamino)phenylboronic Acid

Calculated chemistry of [ 148355-75-3 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 14
Num. arom. heavy atoms : 6
Fraction Csp3 : 0.14
Num. rotatable bonds : 3
Num. H-bond acceptors : 4.0
Num. H-bond donors : 3.0
Molar Refractivity : 54.54
TPSA : 95.01 ?2

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) : -7.76 cm/s

Lipophilicity

Log Po/w (iLOGP) : 0.0
Log Po/w (XLOGP3) : -0.21
Log Po/w (WLOGP) : -0.37
Log Po/w (MLOGP) : -1.05
Log Po/w (SILICOS-IT) : -2.16
Consensus Log Po/w : -0.76

Druglikeness

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

Water Solubility

Log S (ESOL) : -1.16
Solubility : 14.9 mg/ml ; 0.0692 mol/l
Class : Very soluble
Log S (Ali) : -1.33
Solubility : 10.1 mg/ml ; 0.0469 mol/l
Class : Very soluble
Log S (SILICOS-IT) : -1.66
Solubility : 4.7 mg/ml ; 0.0219 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 1.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 2.25

Safety of [ 148355-75-3 ]

Signal Word:Warning Class:
Precautionary Statements:P305+P351+P338 UN#:
Hazard Statements:H302-H319 Packing Group:
GHS Pictogram:
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