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288401-00-3 | 4H-1-Benzopyran-4-one, 6-ethyl-2-phenyl-
CAS No: 288401-00-3 Catalog No: AG002WR5 MDL No:
Product Description
Catalog Number:
AG002WR5
Chemical Name:
4H-1-Benzopyran-4-one, 6-ethyl-2-phenyl-
CAS Number:
288401-00-3
Molecular Formula:
C17H14O2
Molecular Weight:
250.2919
IUPAC Name:
6-ethyl-2-phenylchromen-4-one
InChI:
InChI=1S/C17H14O2/c1-2-12-8-9-16-14(10-12)15(18)11-17(19-16)13-6-4-3-5-7-13/h3-11H,2H2,1H3
InChI Key:
ILUYTTQELSQWNA-UHFFFAOYSA-N
SMILES:
CCc1ccc2c(c1)c(=O)cc(o2)c1ccccc1
Properties
Complexity:
366
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
250.099g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
250.297g/mol
Monoisotopic Mass:
250.099g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
Literature
| Title | Journal |
|---|---|
| Azaflavones compared to flavones as ligands to the benzodiazepine binding site of brain GABA(A) receptors. | Bioorganic & medicinal chemistry letters 20081101 |
| Refinement and evaluation of a pharmacophore model for flavone derivatives binding to the benzodiazepine site of the GABA(A) receptor. | Journal of medicinal chemistry 20020912 |
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