200,000+ products from a single source!
sales@angenechem.com
Home > Fluorides > 123557-91-5
123557-91-5 | 2(3H)-Benzofuranone, 5,7-bis(1,1-dimethylethyl)-3-hydroxy-3-(trifluoromethyl)-
CAS No: 123557-91-5 Catalog No: AG000KSV MDL No:
Product Description
Catalog Number:
AG000KSV
Chemical Name:
2(3H)-Benzofuranone, 5,7-bis(1,1-dimethylethyl)-3-hydroxy-3-(trifluoromethyl)-
CAS Number:
123557-91-5
Molecular Formula:
C17H21F3O3
Molecular Weight:
330.3420
IUPAC Name:
5,7-ditert-butyl-3-hydroxy-3-(trifluoromethyl)-1-benzofuran-2-one
InChI:
InChI=1S/C17H21F3O3/c1-14(2,3)9-7-10(15(4,5)6)12-11(8-9)16(22,13(21)23-12)17(18,19)20/h7-8,22H,1-6H3
InChI Key:
RVNOANDLZIIFHB-UHFFFAOYSA-N
SMILES:
O=C1Oc2c(C1(O)C(F)(F)F)cc(cc2C(C)(C)C)C(C)(C)C
Properties
Complexity:
487
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
330.144g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
330.347g/mol
Monoisotopic Mass:
330.144g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
5.1
Literature
| Title | Journal |
|---|---|
| Effects of the GABAB receptor-positive modulators CGP7930 and rac-BHFF in baclofen- and γ-hydroxybutyrate-discriminating pigeons. | The Journal of pharmacology and experimental therapeutics 20120501 |
| GABAB receptor-positive modulators: brain region-dependent effects. | The Journal of pharmacology and experimental therapeutics 20120101 |
| Positive allosteric modulators at GABAB receptors exert intrinsic actions and enhance the influence of baclofen on light-induced phase shifts of hamster circadian activity rhythms. | Pharmacology, biochemistry, and behavior 20111001 |
| GABAB receptor-positive modulators: enhancement of GABAB receptor agonist effects in vivo. | The Journal of pharmacology and experimental therapeutics 20101001 |
| The positive allosteric modulator of the GABA(B) receptor, rac-BHFF, suppresses alcohol self-administration. | Drug and alcohol dependence 20100601 |
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.