4-(1,1-Dioxido-2-isothiazolidinyl)phenylboronic Acid Pinacol Ester - CAS 756520-72-6
Catalog: |
BB035361 |
Product Name: |
4-(1,1-Dioxido-2-isothiazolidinyl)phenylboronic Acid Pinacol Ester |
CAS: |
756520-72-6 |
Synonyms: |
2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,2-thiazolidine 1,1-dioxide; 2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,2-thiazolidine 1,1-dioxide |
IUPAC Name: | 2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,2-thiazolidine 1,1-dioxide |
Description: | 4-(1,1-Dioxido-2-isothiazolidinyl)phenylboronic Acid Pinacol Ester (CAS# 756520-72-6) is a useful research chemical. |
Molecular Weight: | 323.22 |
Molecular Formula: | C15H22NO4SB |
Canonical SMILES: | B1(OC(C(O1)(C)C)(C)C)C2=CC=C(C=C2)N3CCCS3(=O)=O |
InChI: | InChI=1S/C15H22BNO4S/c1-14(2)15(3,4)21-16(20-14)12-6-8-13(9-7-12)17-10-5-11-22(17,18)19/h6-9H,5,10-11H2,1-4H3 |
InChI Key: | PYVUDSAMLHAQCJ-UHFFFAOYSA-N |
LogP: | 2.67150 |
Publication Number | Title | Priority Date |
US-2020339583-A1 | Map4k4 inhibitors | 20171013 |
AU-2015233654-A1 | Heteroaryl Syk inhibitors | 20140319 |
AU-2015233654-B2 | Heteroaryl Syk inhibitors | 20140319 |
CN-110713489-A | Heteroaryl SYK inhibitors | 20140319 |
EA-032097-B1 | SYK HETEROARIAL INHIBITORS | 20140319 |
Complexity: | 504 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 323.1362595 |
Formal Charge: | 0 |
Heavy Atom Count: | 22 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 323.1362595 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 64.2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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