3-(Morpholinosulfonyl)phenylboronic Acid - CAS 871329-60-1
Catalog: |
BB038287 |
Product Name: |
3-(Morpholinosulfonyl)phenylboronic Acid |
CAS: |
871329-60-1 |
Synonyms: |
[3-(4-morpholinylsulfonyl)phenyl]boronic acid; (3-morpholin-4-ylsulfonylphenyl)boronic acid |
IUPAC Name: | (3-morpholin-4-ylsulfonylphenyl)boronic acid |
Description: | 3-(Morpholinosulfonyl)phenylboronic Acid (CAS# 871329-60-1) is a useful research chemical for the preparation of analogs of the anilinoquinazoline antitumor kinase inhibitor lapatinib. |
Molecular Weight: | 271.10 |
Molecular Formula: | C10H14NO5SB |
Canonical SMILES: | B(C1=CC(=CC=C1)S(=O)(=O)N2CCOCC2)(O)O |
InChI: | InChI=1S/C10H14BNO5S/c13-11(14)9-2-1-3-10(8-9)18(15,16)12-4-6-17-7-5-12/h1-3,8,13-14H,4-7H2 |
InChI Key: | HIKVVOUXXNJGAK-UHFFFAOYSA-N |
Boiling Point: | 520.4 °C at 760 mmHg |
Density: | 1.45 g/cm3 |
MDL: | MFCD07363748 |
LogP: | -0.59400 |
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-2021088787-A1 | Quinazoline compound used as axl inhibitor | 20191107 |
AU-2018318692-A1 | Macrocyclic MCL-1 inhibitors and methods of use | 20170815 |
EP-3668502-A1 | Macrocyclic mcl-1 inhibitors and methods of use | 20170815 |
WO-2019035927-A1 | MACROCYCLIC MCL-1 INHIBITORS AND METHODS OF USE | 20170815 |
BR-112020003200-A2 | macrocyclic mcl-1 inhibitors and methods of use | 20170815 |
Complexity: | 363 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 271.0685739 |
Formal Charge: | 0 |
Heavy Atom Count: | 18 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 271.0685739 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 95.4 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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