17Beta-estradiol sulfate
TL;DR: 17Beta-estradiol sulfate (CAS 481-96-9) 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)-17-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-yl] hydrogen sulfate
Also Known As: Estradiol-3-sulfate, Estradiol 3-sulphate, estradiol, Estraderm, Estrogel
| Molecular Formula | C18H24O5S |
|---|---|
| Molecular Weight | 352.13 g/mol |
| LogP | 2.1 |
| 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 |
| Melting Point | 178.5 °C |
| Solubility | 3.6 mg/L at 27 °C |
Chemical Identifiers
| CAS Number | 481-96-9 |
|---|---|
| SMILES | C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)CCC4=C3C=CC(=C4)OS(=O)(=O)O |
| InChIKey | QZIGLSSUDXBTLJ-ZBRFXRBCSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
17Beta-estradiol sulfate (CAS 481-96-9), with molecular formula C18H24O5S and molecular weight 352.13 g/mol. IUPAC: [(8R,9S,13S,14S,17S)-17-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-yl] hydrogen sulfate.
Chemical Property Profile of 17Beta-estradiol sulfate
Property Insights of 17Beta-estradiol sulfate
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 17Beta-estradiol sulfate. The TPSA of 92.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 17Beta-estradiol sulfate. Following Lipinski's Rule of Five, 17Beta-estradiol 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 17Beta-estradiol sulfate?
The CAS number of 17Beta-estradiol sulfate is 481-96-9.
What is the molecular formula of 17Beta-estradiol sulfate?
The molecular formula of 17Beta-estradiol sulfate is C18H24O5S.
What is the molecular weight of 17Beta-estradiol sulfate?
The molecular weight of 17Beta-estradiol sulfate is 352.13 g/mol.
Where can I buy 17Beta-estradiol sulfate?
You can request a quote for 17Beta-estradiol sulfate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 17Beta-estradiol sulfate?
Yes, KEHONG BIO provides custom synthesis services for 17Beta-estradiol sulfate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.