16-Oxoestradiol 3-sulfate
TL;DR: 16-Oxoestradiol 3-sulfate (CAS 17916-85-7) is a chemical compound with molecular formula C18H22O6S and molecular weight 366.1137 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[(8R,9S,13S,14S,17R)-17-hydroxy-13-methyl-16-oxo-7,8,9,11,12,14,15,17-octahydro-6H-cyclopenta[a]phenanthren-3-yl] hydrogen sulfate
Also Known As: 16-Oxoestradiol 3-sulfate, 16-OE-3-S, [(8R,9S,13S,14S,17R)-17-hydroxy-13-methyl-16-oxo-7,8,9,11,12,14,15,17-octahydro-6H-cyclopenta[a]phenanthren-3-yl] hydrogen sulfate, Estra-1,3,5(10)-trien-16-one, 17-hydroxy-3-(sulfooxy)-, (17beta)-, 17-Hydroxy-16-oxoestra-1(10),2,4-trien-3-yl hydrogen sulfate
Technical Specifications
| Molecular Formula | C18H22O6S |
| Molecular Weight | 366.1137 g/mol |
| XLogP | 2.3 |
| Topological Polar Surface Area (TPSA) | 109.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 366.1137 Da |
| Heavy Atoms | 25 |
| Complexity | 655.0 |
| SMILES | C[C@]12CC[C@H]3[C@H]([C@@H]1CC(=O)[C@@H]2O)CCC4=C3C=CC(=C4)OS(=O)(=O)O |
| InChIKey | QJFFNUBKYWXXCO-YONAWACDSA-N |
Chemical Property Profile of 16-Oxoestradiol 3-sulfate
Property Insights of 16-Oxoestradiol 3-sulfate
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 16-Oxoestradiol 3-sulfate. The TPSA of 109.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 16-Oxoestradiol 3-sulfate. Following Lipinski's Rule of Five, 16-Oxoestradiol 3-sulfate has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 16-Oxoestradiol 3-sulfate?
The CAS number of 16-Oxoestradiol 3-sulfate is 17916-85-7.
What is the molecular formula of 16-Oxoestradiol 3-sulfate?
The molecular formula of 16-Oxoestradiol 3-sulfate is C18H22O6S.
What is the molecular weight of 16-Oxoestradiol 3-sulfate?
The molecular weight of 16-Oxoestradiol 3-sulfate is 366.1137 g/mol.
Where can I buy 16-Oxoestradiol 3-sulfate?
You can request a quote for 16-Oxoestradiol 3-sulfate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 16-Oxoestradiol 3-sulfate?
Yes, CoreyChem provides custom synthesis services for 16-Oxoestradiol 3-sulfate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.