estriol trisulfate
TL;DR: estriol trisulfate (CAS 1750-62-5) is a chemical compound with molecular formula C18H24O12S3 and molecular weight 528.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(8R,9S,13S,14S,16R,17R)-13-methyl-3,16-disulfooxy-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] hydrogen sulfate
Also Known As: estriol trisulfate, Estriol-3,16,17-trisulfate, KST-1A2036, (16, A,17
| Molecular Formula | C18H24O12S3 |
|---|---|
| Molecular Weight | 528.04 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 216.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 6 |
| Exact Mass | 528.04297 |
| Heavy Atoms | 33 |
| Complexity | 1050.0 |
Chemical Identifiers
| CAS Number | 1750-62-5 |
|---|---|
| SMILES | C[C@]12CC[C@H]3[C@H]([C@@H]1C[C@H]([C@@H]2OS(=O)(=O)O)OS(=O)(=O)O)CCC4=C3C=CC(=C4)OS(=O)(=O)O |
| InChIKey | NRSXTVORYUECDJ-ZXXIGWHRSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
estriol trisulfate (CAS 1750-62-5), with molecular formula C18H24O12S3 and molecular weight 528.04 g/mol. IUPAC: [(8R,9S,13S,14S,16R,17R)-13-methyl-3,16-disulfooxy-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] hydrogen sulfate.
Chemical Property Profile of estriol trisulfate
Property Insights of estriol trisulfate
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for estriol trisulfate. The TPSA of 216.0 Ų indicates high polarity, suggesting estriol trisulfate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, estriol trisulfate has 3 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of estriol trisulfate?
The CAS number of estriol trisulfate is 1750-62-5.
What is the molecular formula of estriol trisulfate?
The molecular formula of estriol trisulfate is C18H24O12S3.
What is the molecular weight of estriol trisulfate?
The molecular weight of estriol trisulfate is 528.04 g/mol.
Where can I buy estriol trisulfate?
You can request a quote for estriol trisulfate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for estriol trisulfate?
Yes, KEHONG BIO provides custom synthesis services for estriol trisulfate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.