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Home > Bromides > 1020399-52-3
1020399-52-3 | 4H-Pyran-4-one, 3,5-bis[(3,5-dibromo-4-hydroxyphenyl)methylene]tetrahydro-
CAS No: 1020399-52-3 Catalog No: AG0006FX MDL No:
Product Description
Catalog Number:
AG0006FX
Chemical Name:
4H-Pyran-4-one, 3,5-bis[(3,5-dibromo-4-hydroxyphenyl)methylene]tetrahydro-
CAS Number:
1020399-52-3
Molecular Formula:
C19H12Br4O4
Molecular Weight:
623.9122
IUPAC Name:
(3E,5E)-3,5-bis[(3,5-dibromo-4-hydroxyphenyl)methylidene]oxan-4-one
InChI:
InChI=1S/C19H12Br4O4/c20-13-3-9(4-14(21)18(13)25)1-11-7-27-8-12(17(11)24)2-10-5-15(22)19(26)16(23)6-10/h1-6,25-26H,7-8H2/b11-1+,12-2+
InChI Key:
JEDNMNJCJIIYJR-NJDSBKIZSA-N
SMILES:
O=C1C(=Cc2cc(Br)c(c(c2)Br)O)COCC1=Cc1cc(Br)c(c(c1)Br)O
Properties
Complexity:
549
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
2
Exact Mass:
623.743g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
623.917g/mol
Monoisotopic Mass:
619.747g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
66.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.5
Literature
| Title | Journal |
|---|---|
| epigenetic multiple ligands: mixed histone/protein methyltransferase, acetyltransferase, and class III deacetylase (sirtuin) inhibitors. | Journal of medicinal chemistry 20080410 |
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