Estradiol 17-sulfate
TL;DR: Estradiol 17-sulfate (CAS 3233-69-0) is a chemical compound with molecular formula C18H24O5S and molecular weight 352.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(8R,9S,13S,14S,17S)-3-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] hydrogen sulfate
Also Known As: Estradiol 17-sulfate, Estradiol-17-sulfate, estradiol17-sulfate, estradiol 17beta-sulfate, Estradiol Impurity 46
| Molecular Formula | C18H24O5S |
|---|---|
| Molecular Weight | 352.13 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 92.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 352.13443 |
| Heavy Atoms | 24 |
| Complexity | 585.0 |
Chemical Identifiers
| CAS Number | 3233-69-0 |
|---|---|
| SMILES | C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2OS(=O)(=O)O)CCC4=C3C=CC(=C4)O |
| InChIKey | JSUDNGPWAXYETN-ZBRFXRBCSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Estradiol 17-sulfate (CAS 3233-69-0), with molecular formula C18H24O5S and molecular weight 352.13 g/mol. IUPAC: [(8R,9S,13S,14S,17S)-3-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] hydrogen sulfate.
Chemical Property Profile of Estradiol 17-sulfate
Property Insights of Estradiol 17-sulfate
The XLogP value of 3.6 indicates that Estradiol 17-sulfate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 92.2 Ų falls within the moderate polarity range, balancing permeability and solubility for Estradiol 17-sulfate. Following Lipinski's Rule of Five, Estradiol 17-sulfate has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Estradiol 17-sulfate?
The CAS number of Estradiol 17-sulfate is 3233-69-0.
What is the molecular formula of Estradiol 17-sulfate?
The molecular formula of Estradiol 17-sulfate is C18H24O5S.
What is the molecular weight of Estradiol 17-sulfate?
The molecular weight of Estradiol 17-sulfate is 352.13 g/mol.
Where can I buy Estradiol 17-sulfate?
You can request a quote for Estradiol 17-sulfate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Estradiol 17-sulfate?
Yes, KEHONG BIO provides custom synthesis services for Estradiol 17-sulfate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.