17-Dihydroequilin 3-sulfate
TL;DR: 17-Dihydroequilin 3-sulfate (CAS 126647-89-0) is a chemical compound with molecular formula C18H22O5S and molecular weight 350.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(9S,13S,14S,17S)-17-hydroxy-13-methyl-6,9,11,12,14,15,16,17-octahydrocyclopenta[a]phenanthren-3-yl] hydrogen sulfate
Also Known As: 17-Dihydroequilin 3-sulfate, Estriol Impurity 15, 17beta-Dihydroequilin sulfate, 17-beta-dihydroequilin 3-sulfate, [(9S,13S,14S,17S)-17-hydroxy-13-methyl-6,9,11,12,14,15,16,17-octahydrocyclopenta[a]phenanthren-3-yl] hydrogen sulfate
| Molecular Formula | C18H22O5S |
|---|---|
| Molecular Weight | 350.12 g/mol |
| LogP | 3.0053 |
| Topological Polar Surface Area | 83.83 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 350.1188 |
| Heavy Atoms | 24 |
| Complexity | 812.69806 |
Chemical Identifiers
| CAS Number | 126647-89-0 |
|---|---|
| SMILES | C[C@]12CC[C@H]3C(=CCC4=C3C=CC(=C4)OS(=O)(=O)O)[C@@H]1CC[C@@H]2O |
Product Overview
17-Dihydroequilin 3-sulfate (CAS 126647-89-0), with molecular formula C18H22O5S and molecular weight 350.12 g/mol. IUPAC: [(9S,13S,14S,17S)-17-hydroxy-13-methyl-6,9,11,12,14,15,16,17-octahydrocyclopenta[a]phenanthren-3-yl] hydrogen sulfate.
Chemical Property Profile of 17-Dihydroequilin 3-sulfate
Property Insights of 17-Dihydroequilin 3-sulfate
The XLogP value of 3.0053 indicates that 17-Dihydroequilin 3-sulfate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 83.83 Ų falls within the moderate polarity range, balancing permeability and solubility for 17-Dihydroequilin 3-sulfate. Following Lipinski's Rule of Five, 17-Dihydroequilin 3-sulfate has 2 hydrogen bond donor(s) and 4 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 17-Dihydroequilin 3-sulfate?
The CAS number of 17-Dihydroequilin 3-sulfate is 126647-89-0.
What is the molecular formula of 17-Dihydroequilin 3-sulfate?
The molecular formula of 17-Dihydroequilin 3-sulfate is C18H22O5S.
What is the molecular weight of 17-Dihydroequilin 3-sulfate?
The molecular weight of 17-Dihydroequilin 3-sulfate is 350.12 g/mol.
Where can I buy 17-Dihydroequilin 3-sulfate?
You can request a quote for 17-Dihydroequilin 3-sulfate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 17-Dihydroequilin 3-sulfate?
Yes, KEHONG BIO provides custom synthesis services for 17-Dihydroequilin 3-sulfate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.