5-fluoro-4-hydroxyquinazoline - CAS 436-72-6
Catalog: |
BB025443 |
Product Name: |
5-fluoro-4-hydroxyquinazoline |
CAS: |
436-72-6 |
Synonyms: |
5-fluoro-3H-quinazolin-4-one; 5-fluoro-3H-quinazolin-4-one |
IUPAC Name: | 5-fluoro-3H-quinazolin-4-one |
Description: | 5-fluoro-4-hydroxyquinazoline (CAS# 436-72-6) is a useful research chemical. |
Molecular Weight: | 164.14 |
Molecular Formula: | C8H5FN2O |
Canonical SMILES: | C1=CC2=C(C(=C1)F)C(=O)NC=N2 |
InChI: | InChI=1S/C8H5FN2O/c9-5-2-1-3-6-7(5)8(12)11-4-10-6/h1-4H,(H,10,11,12) |
InChI Key: | UXEZULVIMJVIFB-UHFFFAOYSA-N |
Boiling Point: | 317.5 °C at 760 mmHg |
Melting Point: | 238 °C |
Purity: | 95 % |
Density: | 1.44 g/cm3 |
MDL: | MFCD00173674 |
LogP: | 1.47450 |
GHS Hazard Statement: | H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2020113642-A1 | SELECTIVE PI3Kδ INHIBITOR AND USE THEREOF | 20181204 |
WO-2020057511-A1 | Quinazoline derivatives as antitumor agents | 20180918 |
WO-2019214634-A1 | Erbb receptor inhibitors | 20180508 |
US-10822334-B2 | ErbB receptor inhibitors | 20180508 |
US-2020317669-A1 | Erbb receptor inhibitors | 20180508 |
PMID | Publication Date | Title | Journal |
22365563 | 20120401 | Synthesis and SAR optimization of quinazolin-4(3H)-ones as poly(ADP-ribose)polymerase-1 inhibitors | European journal of medicinal chemistry |
Complexity: | 229 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 164.03859095 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 164.03859095 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 41.5 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.8 |
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