Alternatived Products of [ 148355-75-3 ]
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: |
|