2-Oxo-1,2-dihydroquinoline-5-boronic Acid Pinacol Ester - CAS 1219130-53-6
Catalog: |
BB005294 |
Product Name: |
2-Oxo-1,2-dihydroquinoline-5-boronic Acid Pinacol Ester |
CAS: |
1219130-53-6 |
Synonyms: |
5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-quinolin-2-one; 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-quinolin-2-one |
IUPAC Name: | 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-quinolin-2-one |
Description: | 2-Oxo-1,2-dihydroquinoline-5-boronic Acid Pinacol Ester (CAS# 1219130-53-6 ) is a useful research chemical. |
Molecular Weight: | 271.12 |
Molecular Formula: | C15H18NO3B |
Canonical SMILES: | B1(OC(C(O1)(C)C)(C)C)C2=C3C=CC(=O)NC3=CC=C2 |
InChI: | InChI=1S/C15H18BNO3/c1-14(2)15(3,4)20-16(19-14)11-6-5-7-12-10(11)8-9-13(18)17-12/h5-9H,1-4H3,(H,17,18) |
InChI Key: | ICKRHHRNOZOKML-UHFFFAOYSA-N |
Storage: | Sealed in dry, Store in freezer, under -20 °C |
MDL: | MFCD18427669 |
LogP: | 1.82730 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation] |
Precautionary Statement: | P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
AU-2018273356-A1 | KRAS G12C inhibitors and methods of using the same | 20170522 |
US-10519146-B2 | KRAS G12C inhibitors and methods of using the same | 20170522 |
US-2018334454-A1 | Kras g12c inhibitors and methods of using the same | 20170522 |
US-2020055845-A1 | Kras g12c inhibitors and methods of using the same | 20170522 |
US-2021009577-A1 | Kras g12c inhibitors and methods of using the same | 20170522 |
Complexity: | 430 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 271.1379736 |
Formal Charge: | 0 |
Heavy Atom Count: | 20 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 271.1379736 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 47.6 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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