8-Bromoisoquinoline - CAS 63927-22-0
Catalog: |
BB032323 |
Product Name: |
8-Bromoisoquinoline |
CAS: |
63927-22-0 |
Synonyms: |
8-bromoisoquinoline; 8-bromoisoquinoline |
IUPAC Name: | 8-bromoisoquinoline |
Description: | 8-Bromoisoquinoline (CAS# 63927-22-0) is an intermediate used to prepare 4-((2-Hydroxy-3-methoxybenzyl)amino)benzenesulfonamide derivatives as potent and selective inhibitors of 12-Lipoxygenase. It is also used in the synthesis of selective excitatory amino acid transporter subtype 1 (EAAT1) Inhibitor UCPH-102. |
Molecular Weight: | 208.05 |
Molecular Formula: | C9H6BrN |
Canonical SMILES: | C1=CC2=C(C=NC=C2)C(=C1)Br |
InChI: | InChI=1S/C9H6BrN/c10-9-3-1-2-7-4-5-11-6-8(7)9/h1-6H |
InChI Key: | DPRIHFQFWWCIGY-UHFFFAOYSA-N |
Boiling Point: | 312.3 ℃ at 760 mmHg |
Density: | 1.564 g/cm3 |
MDL: | MFCD04973298 |
LogP: | 2.99730 |
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 |
CN-113461669-A | Novel androgen receptor degradation agent, preparation method and medical application | 20210322 |
WO-2021120717-A1 | Anticancer compound and medical use thereof | 20191220 |
CN-113004269-A | Heterocyclic compounds as Kras-G12C inhibitors | 20191219 |
US-2021147386-A1 | Pyrrolidine and piperidine compounds | 20191106 |
WO-2021090245-A1 | Pyrrolidine and piperidine compounds | 20191106 |
Complexity: | 138 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 206.96836 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 206.96836 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 12.9 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.8 |
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