Estriol 3-sulfate
TL;DR: Estriol 3-sulfate (CAS 481-95-8) 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,16R,17R)-16,17-dihydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-yl] hydrogen sulfate
Also Known As: Estriol 3-sulfate, Estriol-3-sulfate, estriol sulfate, Estriol-3-sulfuric acid, 16alpha-Hydroxyestradiol 3-sulfate
| Molecular Formula | C18H24O6S |
|---|---|
| Molecular Weight | 368.13 g/mol |
| LogP | 1.9 |
| 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 | 481-95-8 |
|---|---|
| SMILES | C[C@]12CC[C@H]3[C@H]([C@@H]1C[C@H]([C@@H]2O)O)CCC4=C3C=CC(=C4)OS(=O)(=O)O |
| InChIKey | ZORQMBLUMWNJEQ-ZXXIGWHRSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Estriol 3-sulfate (CAS 481-95-8), with molecular formula C18H24O6S and molecular weight 368.13 g/mol. IUPAC: [(8R,9S,13S,14S,16R,17R)-16,17-dihydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-yl] hydrogen sulfate.
Chemical Property Profile of Estriol 3-sulfate
Property Insights of Estriol 3-sulfate
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Estriol 3-sulfate. The TPSA of 112.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Estriol 3-sulfate. Following Lipinski's Rule of Five, Estriol 3-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 Estriol 3-sulfate?
The CAS number of Estriol 3-sulfate is 481-95-8.
What is the molecular formula of Estriol 3-sulfate?
The molecular formula of Estriol 3-sulfate is C18H24O6S.
What is the molecular weight of Estriol 3-sulfate?
The molecular weight of Estriol 3-sulfate is 368.13 g/mol.
Where can I buy Estriol 3-sulfate?
You can request a quote for Estriol 3-sulfate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Estriol 3-sulfate?
Yes, KEHONG BIO provides custom synthesis services for Estriol 3-sulfate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.