4-(Methylsulfonyl)phenylboronic Acid Pinacol Ester - CAS 603143-27-7
Catalog: |
BB030652 |
Product Name: |
4-(Methylsulfonyl)phenylboronic Acid Pinacol Ester |
CAS: |
603143-27-7 |
Synonyms: |
4,4,5,5-tetramethyl-2-(4-methylsulfonylphenyl)-1,3,2-dioxaborolane; 4,4,5,5-tetramethyl-2-(4-methylsulfonylphenyl)-1,3,2-dioxaborolane |
IUPAC Name: | 4,4,5,5-tetramethyl-2-(4-methylsulfonylphenyl)-1,3,2-dioxaborolane |
Description: | 4-(Methylsulfonyl)phenylboronic Acid Pinacol Ester (CAS# 603143-27-7) is a useful research chemical. |
Molecular Weight: | 282.16 |
Molecular Formula: | C13H19O4SB |
Canonical SMILES: | B1(OC(C(O1)(C)C)(C)C)C2=CC=C(C=C2)S(=O)(=O)C |
InChI: | InChI=1S/C13H19BO4S/c1-12(2)13(3,4)18-14(17-12)10-6-8-11(9-7-10)19(5,15)16/h6-9H,1-5H3 |
InChI Key: | BDOSWBBKOSGKAV-UHFFFAOYSA-N |
Boiling Point: | 421.1 ℃ at 760 mmHg |
Density: | 1.17 g/cm3 |
MDL: | MFCD05863921 |
LogP: | 2.47010 |
GHS Hazard Statement: | H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
US-2021261587-A1 | STRAD-binding agents and Uses Thereof | 20200130 |
WO-2021155004-A1 | Strad-binding agents and uses thereof | 20200130 |
WO-2021130638-A1 | Diacylglycerol kinase modulating compounds | 20191224 |
CN-112142744-A | Substituted fused heteroaromatic bicyclic compounds as kinase inhibitors and uses thereof | 20190628 |
WO-2020259601-A1 | Substituted fused heteroaromatic bicyclic compounds as kinase inhibitors and the use thereof | 20190628 |
PMID | Publication Date | Title | Journal |
21490603 | 20110413 | Selective killing of ATM- or p53-deficient cancer cells through inhibition of ATR | Nature chemical biology |
Complexity: | 414 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 282.1097104 |
Formal Charge: | 0 |
Heavy Atom Count: | 19 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 282.1097104 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 61 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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