Ethinyl estradiol sulfate
TL;DR: Ethinyl estradiol sulfate (CAS 1199-98-0) is a chemical compound with molecular formula C20H24O5S and molecular weight 376.13443 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[(8R,9S,13S,14S)-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: Ethinyl estradiol sulfate, Ethynylestradiol sulphate, 17-ethynyl-17-hydroxyestra-1,3,5(10)-trien-3-yl hydrogen sulfate, [(8R,9S,13S,14S)-17-ethynyl-17-hydroxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-yl] hydrogen sulfate, (8S,9S,13S,14S)-17-Ethynyl-17-hydroxy-13-methyl-3-sulfooxy-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta(a)phenanthrene
Technical Specifications
| Molecular Formula | C20H24O5S |
| Molecular Weight | 376.13443 g/mol |
| XLogP | 3.1 |
| Topological Polar Surface Area (TPSA) | 92.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 376.13443 Da |
| Heavy Atoms | 26 |
| Complexity | 718.0 |
| SMILES | C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2(C#C)O)CCC4=C3C=CC(=C4)OS(=O)(=O)O |
| InChIKey | WLGIWVFFGMPRLM-WYGKVCCSSA-N |
Chemical Property Profile of Ethinyl estradiol sulfate
Property Insights of Ethinyl estradiol sulfate
The XLogP value of 3.1 indicates that Ethinyl estradiol 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 Ethinyl estradiol sulfate. Following Lipinski's Rule of Five, Ethinyl 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
What is the CAS number of Ethinyl estradiol sulfate?
The CAS number of Ethinyl estradiol sulfate is 1199-98-0.
What is the molecular formula of Ethinyl estradiol sulfate?
The molecular formula of Ethinyl estradiol sulfate is C20H24O5S.
What is the molecular weight of Ethinyl estradiol sulfate?
The molecular weight of Ethinyl estradiol sulfate is 376.13443 g/mol.
Where can I buy Ethinyl estradiol sulfate?
You can request a quote for Ethinyl estradiol sulfate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Ethinyl estradiol sulfate?
Yes, CoreyChem provides custom synthesis services for Ethinyl estradiol sulfate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.