4-Hydroxyestradiol 17-sulfate
TL;DR: 4-Hydroxyestradiol 17-sulfate (CAS 90746-92-2) is a chemical compound with molecular formula C18H24O6S and molecular weight 368.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(8R,9S,13S,14S,17S)-3,4-dihydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] hydrogen sulfate
Also Known As: 4-Hydroxyestradiol 17-sulfate, 4-OH-E2-17-S, KST-1A9167, (17, A)-3,4-dihydroxyestra-1,3,5(10)-trien-17-yl hydrogen sulfate
| Molecular Formula | C18H24O6S |
|---|---|
| Molecular Weight | 368.13 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 112.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 368.12936 |
| Heavy Atoms | 25 |
| Complexity | 616.0 |
Chemical Identifiers
| CAS Number | 90746-92-2 |
|---|---|
| SMILES | C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2OS(=O)(=O)O)CCC4=C3C=CC(=C4O)O |
| InChIKey | OFRQUXUVUJJDSU-ZHIYBZGJSA-N |
Product Overview
4-Hydroxyestradiol 17-sulfate (CAS 90746-92-2), with molecular formula C18H24O6S and molecular weight 368.13 g/mol. IUPAC: [(8R,9S,13S,14S,17S)-3,4-dihydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] hydrogen sulfate.
Chemical Property Profile of 4-Hydroxyestradiol 17-sulfate
Property Insights of 4-Hydroxyestradiol 17-sulfate
The XLogP value of 3.3 indicates that 4-Hydroxyestradiol 17-sulfate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 112.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Hydroxyestradiol 17-sulfate. Following Lipinski's Rule of Five, 4-Hydroxyestradiol 17-sulfate has 3 hydrogen bond donor(s) and 6 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 4-Hydroxyestradiol 17-sulfate?
The CAS number of 4-Hydroxyestradiol 17-sulfate is 90746-92-2.
What is the molecular formula of 4-Hydroxyestradiol 17-sulfate?
The molecular formula of 4-Hydroxyestradiol 17-sulfate is C18H24O6S.
What is the molecular weight of 4-Hydroxyestradiol 17-sulfate?
The molecular weight of 4-Hydroxyestradiol 17-sulfate is 368.13 g/mol.
Where can I buy 4-Hydroxyestradiol 17-sulfate?
You can request a quote for 4-Hydroxyestradiol 17-sulfate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Hydroxyestradiol 17-sulfate?
Yes, KEHONG BIO provides custom synthesis services for 4-Hydroxyestradiol 17-sulfate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.