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Chemical structure of Tetrahydrofluoroene 52

GC31589

Tetrahydrofluoroene 52

Also listed as MK-6913 (Tetrahydrofluoroene 52)

MK-6913 (Tetrahydrofluoroene 52) (Tetrahydrofluoroene 52) is a potent and selective estrogen receptor β agonist

ChemicalCAS1398510-92-3MW401.5FormulaC25H27N3O2
CAS number
1398510-92-3
Molecular weight
401.5
Formula
C25H27N3O2
Solubility
Soluble in DMSO
InChIKey
LYLIIGQPIKTONH-RUZDIDTESA-N
Catalogue number
GC31589
Brand
GLPBIO
Computed properties PubChem CID 118753642 · XLogP 4 · TPSA 57 Ų · H-bond donors 0
XLogP
4
TPSA
57 Ų
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
5
Heavy atoms
30

SMILES CC(C)(C)N1C2=C(C3=C(C=C2)C4=CC(=O)CC[C@]4(C3)CCOC5=CC=CC=C5)N=N1

Computed descriptors from PubChem (CID 118753642), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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