4-(1-Carboxy-1-methylethyl)phenylboronic Acid - CAS 1187209-18-2
Catalog: |
BB004242 |
Product Name: |
4-(1-Carboxy-1-methylethyl)phenylboronic Acid |
CAS: |
1187209-18-2 |
Synonyms: |
2-(4-boronophenyl)-2-methylpropanoic acid; 2-(4-boronophenyl)-2-methylpropanoic acid |
IUPAC Name: | 2-(4-boronophenyl)-2-methylpropanoic acid |
Description: | 4-(1-Carboxy-1-methylethyl)phenylboronic Acid (CAS# 1187209-18-2) is a reagent used in the synthesis of serum and glucocorticoid-related kinase 1 (SGK1) inhibitors. |
Molecular Weight: | 208.02 |
Molecular Formula: | C10H13O4B |
Canonical SMILES: | B(C1=CC=C(C=C1)C(C)(C)C(=O)O)(O)O |
InChI: | InChI=1S/C10H13BO4/c1-10(2,9(12)13)7-3-5-8(6-4-7)11(14)15/h3-6,14-15H,1-2H3,(H,12,13) |
InChI Key: | QAMVLOFDQNAZOP-UHFFFAOYSA-N |
Storage: | Sealed in dry, 2-8 °C |
LogP: | -0.27140 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2021130638-A1 | Diacylglycerol kinase modulating compounds | 20191224 |
US-2021077385-A1 | Wet-packed soft hydrogel ocular inserts | 20190918 |
WO-2021053586-A1 | Wet-packed soft hydrogel ocular inserts | 20190918 |
US-2020158913-A1 | Contact lens with phosphorylcholine-modified polyvinylalcohols therein | 20181115 |
WO-2020100090-A1 | Contact lens with phosphorylcholine-modified polyvinylalcohols therein | 20181115 |
Complexity: | 232 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 208.0906891 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 3 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 208.0906891 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 77.8 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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