4-[(4-Boc-1-piperazinyl)sulfonyl]phenylboronic Acid Pinacol Ester - CAS 1042917-53-2
Catalog: |
BB001373 |
Product Name: |
4-[(4-Boc-1-piperazinyl)sulfonyl]phenylboronic Acid Pinacol Ester |
CAS: |
1042917-53-2 |
Synonyms: |
4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]sulfonyl-1-piperazinecarboxylic acid tert-butyl ester; tert-butyl 4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]sulfonylpiperazine-1-carboxylate |
IUPAC Name: | tert-butyl 4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]sulfonylpiperazine-1-carboxylate |
Description: | 4-[(4-Boc-1-piperazinyl)sulfonyl]phenylboronic Acid Pinacol Ester (CAS# 1042917-53-2) is a useful research chemical. |
Molecular Weight: | 452.37 |
Molecular Formula: | C21H33N2O6SB |
Canonical SMILES: | B1(OC(C(O1)(C)C)(C)C)C2=CC=C(C=C2)S(=O)(=O)N3CCN(CC3)C(=O)OC(C)(C)C |
InChI: | InChI=1S/C21H33BN2O6S/c1-19(2,3)28-18(25)23-12-14-24(15-13-23)31(26,27)17-10-8-16(9-11-17)22-29-20(4,5)21(6,7)30-22/h8-11H,12-15H2,1-7H3 |
InChI Key: | SYBIHBXDDYAZBX-UHFFFAOYSA-N |
LogP: | 3.18380 |
Publication Number | Title | Priority Date |
WO-2020010210-A1 | Mertk degraders and uses thereof | 20180706 |
US-2019192668-A1 | Irak degraders and uses thereof | 20171226 |
US-10874743-B2 | IRAK degraders and uses thereof | 20171226 |
US-2015259331-A1 | Protozoan parasite growth inhibitors | 20140317 |
CA-2898107-A1 | Antiviral compounds | 20130306 |
Complexity: | 742 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 452.2152381 |
Formal Charge: | 0 |
Heavy Atom Count: | 31 |
Hydrogen Bond Acceptor Count: | 7 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 452.2152381 |
Rotatable Bond Count: | 5 |
Topological Polar Surface Area: | 93.8 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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