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27458-03-3 | 3,3-Bis(4-hydroxyphenyl)-4,5,6,7-tetraiodo-1(3H)-isobenzofuranone
CAS No: 27458-03-3 Catalog No: AG00BMSY MDL No:
Product Description
Catalog Number:
AG00BMSY
Chemical Name:
3,3-Bis(4-hydroxyphenyl)-4,5,6,7-tetraiodo-1(3H)-isobenzofuranone
CAS Number:
27458-03-3
IUPAC Name:
3,3-bis(4-hydroxyphenyl)-4,5,6,7-tetraiodo-2-benzofuran-1-one
InChI:
InChI=1S/C20H10I4O4/c21-15-13-14(16(22)18(24)17(15)23)20(28-19(13)27,9-1-5-11(25)6-2-9)10-3-7-12(26)8-4-10/h1-8,25-26H
InChI Key:
QROHRCGRGMYXAB-UHFFFAOYSA-N
Properties
Complexity:
567
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
821.676g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
821.914g/mol
Monoisotopic Mass:
821.676g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
66.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.4
Literature
| Title | Journal |
|---|---|
| Colloid formation by drugs in simulated intestinal fluid. | Journal of medicinal chemistry 20100527 |
| Prediction and evaluation of protein farnesyltransferase inhibition by commercial drugs. | Journal of medicinal chemistry 20100325 |
| Small-molecule aggregates inhibit amyloid polymerization. | Nature chemical biology 20080301 |
| Aggregator compounds confound amyloid fibrillization assay. | Nature chemical biology 20080301 |
| Interpreting steep dose-response curves in early inhibitor discovery. | Journal of medicinal chemistry 20061214 |
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