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LY88074 Methyl ether

CAT: 0931-T11913-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-T11913-02Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
63675-88-7
Target
Others, Estrogen Receptor/ERR
Related Pathways
Others, Endocrinology/Hormones
Bioactivity
LY88074 Methyl ether is effective in inhibiting conditions associated with estrogen deprivation syndrome, such as osteoporosis and hyperlipidemia, which occur due to various estrogen-deficient states.
Smiles
C(=O)(C1=C(SC=2C1=CC=C(O)C2)C3=CC=C(O)C=C3)C4=CC=C(OC)C=C4
Molecular Formula
C22H16O4S
Molecular Weight
376.42
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

[6-Hydroxy-2-(4-hydroxyphenyl)-1-benzothiophen-3-YL](4-methoxyphenyl)methanone
CAS Number63675-88-7
PubChem CID9842621
IUPAC Name[6-hydroxy-2-(4-hydroxyphenyl)-1-benzothiophen-3-yl]-(4-methoxyphenyl)methanone
Molecular FormulaC22H16O4S
Molecular Weight376.4
XLogP5.2
Topological Polar Surface Area95
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Heavy Atom Count27
Formal Charge0
Complexity510
SMILES
COC1=CC=C(C=C1)C(=O)C2=C(SC3=C2C=CC(=C3)O)C4=CC=C(C=C4)O
InChI
InChI=1S/C22H16O4S/c1-26-17-9-4-13(5-10-17)21(25)20-18-11-8-16(24)12-19(18)27-22(20)14-2-6-15(23)7-3-14/h2-12,23-24H,1H3
InChIKey
PYIMIJKXPOXOFJ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of [6-Hydroxy-2-(4-hydroxyphenyl)-1-benzothiophen-3-YL](4-methoxyphenyl)methanone
CAS: 63675-88-7
CID: 9842621
Formula: C22H16O4S
MW: 376.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight376.4
XLogP35.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Exact Mass376.07693016
Monoisotopic Mass376.07693016
Topological Polar Surface Area95 Ų
Heavy Atom Count27
Formal Charge0
Complexity510
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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