3-(4-Boc-1-piperazinyl)phenylboronic Acid - CAS 937048-39-0
Catalog: |
BB041040 |
Product Name: |
3-(4-Boc-1-piperazinyl)phenylboronic Acid |
CAS: |
937048-39-0 |
Synonyms: |
[3-[4-[(2-methylpropan-2-yl)oxy-oxomethyl]-1-piperazinyl]phenyl]boronic acid; [3-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]phenyl]boronic acid |
IUPAC Name: | [3-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]phenyl]boronic acid |
Description: | 3-(4-Boc-1-piperazinyl)phenylboronic Acid (CAS# 937048-39-0 ) is a useful research chemical. |
Molecular Weight: | 306.17 |
Molecular Formula: | C15H23N2O4B |
Canonical SMILES: | B(C1=CC(=CC=C1)N2CCN(CC2)C(=O)OC(C)(C)C)(O)O |
InChI: | InChI=1S/C15H23BN2O4/c1-15(2,3)22-14(19)18-9-7-17(8-10-18)13-6-4-5-12(11-13)16(20)21/h4-6,11,20-21H,7-10H2,1-3H3 |
InChI Key: | JBOOIEDHOGPRIZ-UHFFFAOYSA-N |
MDL: | MFCD10696664 |
LogP: | 0.42640 |
Publication Number | Title | Priority Date |
US-2016024078-A1 | CaMKII INHIBITORS AND USES THEREOF | 20130306 |
WO-2014138212-A1 | CaMKII INHIBITORS AND USES THEREOF | 20130306 |
US-2012252805-A1 | Novel compounds | 20091218 |
EP-2384318-A2 | Compounds and methods for inhibiting nhe-mediated antiport in the treatment of disorders associated with fluid retention or salt overload and gastrointestinal tract disorders | 20081231 |
US-2012263670-A1 | Compounds and methods for inhibiting nhe-mediated antiport in the treatment of disorders associated with fluid retention or salt overload and gastrointestinal tract disorders | 20081231 |
Complexity: | 378 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 306.1750874 |
Formal Charge: | 0 |
Heavy Atom Count: | 22 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 306.1750874 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 73.2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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