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| IUPAC Name: | N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methanesulfonamide |
| Description: | 4-(Methanesulfonylamino)phenylboronic Acid Pinacol Ester (CAS# 616880-14-9) is a reagent for the synthesis of selective irreversible BMX kinase inhibitor BMX-IN-1 with antitumor activity. |
| Molecular Weight: | 297.18 |
| Molecular Formula: | C13H20NO4SB |
| Canonical SMILES: | B1(OC(C(O1)(C)C)(C)C)C2=CC=C(C=C2)NS(=O)(=O)C |
| InChI: | InChI=1S/C13H20BNO4S/c1-12(2)13(3,4)19-14(18-12)10-6-8-11(9-7-10)15-20(5,16)17/h6-9,15H,1-5H3 |
| InChI Key: | NPSPNWPZDXQYAC-UHFFFAOYSA-N |
| Boiling Point: | 414.226 °C at 760 mmHg |
| Melting Point: | 197-201 °C (lit.) |
| Flash Point: | Not applicable |
| Purity: | 97 % |
| Density: | 1.197 g/cm3 |
| Appearance: | Solid |
| Storage: | 2-8 °C |
| MDL: | MFCD05663876 |
| LogP: | 1.46550 |
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