Ethynylestradiol 3-sulfate
TL;DR: Ethynylestradiol 3-sulfate (CAS 24560-70-1) is a chemical compound with molecular formula C20H24O5S and molecular weight 376.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(8R,9S,13S,14S,17R)-17-ethynyl-17-hydroxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-yl] hydrogen sulfate
Also Known As: Ethinylestradiol-3-sulfate, Ethynylestradiol sulphate, Ethinyl estradiol sulfate, Ethynylestradiol Sulfate, Ethynyl Estradiol 3-Sulfate
| Molecular Formula | C20H24O5S |
|---|---|
| Molecular Weight | 376.13 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 92.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 376.13443 |
| Heavy Atoms | 26 |
| Complexity | 718.0 |
Chemical Identifiers
| CAS Number | 24560-70-1 |
|---|---|
| SMILES | C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@]2(C#C)O)CCC4=C3C=CC(=C4)OS(=O)(=O)O |
| InChIKey | WLGIWVFFGMPRLM-SLHNCBLASA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethynylestradiol 3-sulfate (CAS 24560-70-1), with molecular formula C20H24O5S and molecular weight 376.13 g/mol. IUPAC: [(8R,9S,13S,14S,17R)-17-ethynyl-17-hydroxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-yl] hydrogen sulfate.
Chemical Property Profile of Ethynylestradiol 3-sulfate
Property Insights of Ethynylestradiol 3-sulfate
The XLogP value of 3.1 indicates that Ethynylestradiol 3-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 Ethynylestradiol 3-sulfate. Following Lipinski's Rule of Five, Ethynylestradiol 3-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 Ethynylestradiol 3-sulfate?
The CAS number of Ethynylestradiol 3-sulfate is 24560-70-1.
What is the molecular formula of Ethynylestradiol 3-sulfate?
The molecular formula of Ethynylestradiol 3-sulfate is C20H24O5S.
What is the molecular weight of Ethynylestradiol 3-sulfate?
The molecular weight of Ethynylestradiol 3-sulfate is 376.13 g/mol.
Where can I buy Ethynylestradiol 3-sulfate?
You can request a quote for Ethynylestradiol 3-sulfate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethynylestradiol 3-sulfate?
Yes, KEHONG BIO provides custom synthesis services for Ethynylestradiol 3-sulfate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.