Ethinyl estradiol-17-sulfate
TL;DR: Ethinyl estradiol-17-sulfate (CAS 75803-36-0) 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-3-hydroxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl] hydrogen sulfate
Also Known As: Ethinylestradiol-17-sulfate, Ethinyl estradiol-17-sulfate, Ethynyl estradiol 17-sulfate, (17, A)-17-ethynyl-3-hydroxyestra-1,3,5(10)-trien-17-yl hydrogen sulfate
| Molecular Formula | C20H24O5S |
|---|---|
| Molecular Weight | 376.13 g/mol |
| LogP | 3.3 |
| 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 | 75803-36-0 |
|---|---|
| SMILES | C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@]2(C#C)OS(=O)(=O)O)CCC4=C3C=CC(=C4)O |
| InChIKey | JHKCCDZKVDAGJH-SLHNCBLASA-N |
Product Overview
Ethinyl estradiol-17-sulfate (CAS 75803-36-0), with molecular formula C20H24O5S and molecular weight 376.13 g/mol. IUPAC: [(8R,9S,13S,14S,17R)-17-ethynyl-3-hydroxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl] hydrogen sulfate.
Chemical Property Profile of Ethinyl estradiol-17-sulfate
Property Insights of Ethinyl estradiol-17-sulfate
The XLogP value of 3.3 indicates that Ethinyl 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 Ethinyl estradiol-17-sulfate. Following Lipinski's Rule of Five, Ethinyl 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 Ethinyl estradiol-17-sulfate?
The CAS number of Ethinyl estradiol-17-sulfate is 75803-36-0.
What is the molecular formula of Ethinyl estradiol-17-sulfate?
The molecular formula of Ethinyl estradiol-17-sulfate is C20H24O5S.
What is the molecular weight of Ethinyl estradiol-17-sulfate?
The molecular weight of Ethinyl estradiol-17-sulfate is 376.13 g/mol.
Where can I buy Ethinyl estradiol-17-sulfate?
You can request a quote for Ethinyl 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 Ethinyl estradiol-17-sulfate?
Yes, KEHONG BIO provides custom synthesis services for Ethinyl estradiol-17-sulfate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.