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Chemical structure of Estradiol sulfamate

GC36010

Estradiol sulfamate

Also listed as Estradiol 3-sulfamate

Estradiol 3-sulfamate (BLE 00084; E2MATE; ES-J 995) is a potent, long-acting, and orally active steroid sulfatase inhibitor; inhibits estrone sulfatase with an IC50 of 251 nM and a Ki of 133 nM

ChemicalCAS172377-52-5MW351.46FormulaC18H25NO4S
CAS number
172377-52-5
Molecular weight
351.46
Formula
C18H25NO4S
Solubility
DMSO： 62·5 mg/mL (177·83 mM)
InChIKey
YXYXCSOJKUAPJI-ZBRFXRBCSA-N
Catalogue number
GC36010
Brand
GLPBIO
Computed properties PubChem CID 6918339 · XLogP 1.9 · TPSA 98 Ų · H-bond donors 2
XLogP
1.9
TPSA
98 Ų
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
2
Heavy atoms
24

SMILES C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)CCC4=C3C=CC(=C4)OS(=O)(=O)N

Computed descriptors from PubChem (CID 6918339), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

Ordering in Israel

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Pricing
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Documents
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