6-Sulfatoxymelatonin
TL;DR: 6-Sulfatoxymelatonin (CAS 2208-40-4) is a chemical compound with molecular formula C13H16N2O6S and molecular weight 328.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3-(2-acetamidoethyl)-5-methoxy-1H-indol-6-yl] hydrogen sulfate
Also Known As: 6-Sulfatoxymelatonin, 6-Sulphatoxymelatonin, Tiomesterone, 6-(Sulfonyloxy)melatonin, 6-sulfooxymelatonin
| Molecular Formula | C13H16N2O6S |
|---|---|
| Molecular Weight | 328.07 g/mol |
| LogP | 0.6 |
| Topological Polar Surface Area | 126.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 328.0729 |
| Heavy Atoms | 22 |
| Complexity | 491.0 |
Chemical Identifiers
| CAS Number | 2208-40-4 |
|---|---|
| SMILES | CC(=O)NCCC1=CNC2=CC(=C(C=C21)OC)OS(=O)(=O)O |
| InChIKey | QQEILXDLZRLTME-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
6-Sulfatoxymelatonin (CAS 2208-40-4), with molecular formula C13H16N2O6S and molecular weight 328.07 g/mol. IUPAC: [3-(2-acetamidoethyl)-5-methoxy-1H-indol-6-yl] hydrogen sulfate.
Chemical Property Profile of 6-Sulfatoxymelatonin
Property Insights of 6-Sulfatoxymelatonin
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-Sulfatoxymelatonin. The TPSA of 126.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-Sulfatoxymelatonin. Following Lipinski's Rule of Five, 6-Sulfatoxymelatonin 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 6-Sulfatoxymelatonin?
The CAS number of 6-Sulfatoxymelatonin is 2208-40-4.
What is the molecular formula of 6-Sulfatoxymelatonin?
The molecular formula of 6-Sulfatoxymelatonin is C13H16N2O6S.
What is the molecular weight of 6-Sulfatoxymelatonin?
The molecular weight of 6-Sulfatoxymelatonin is 328.07 g/mol.
Where can I buy 6-Sulfatoxymelatonin?
You can request a quote for 6-Sulfatoxymelatonin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-Sulfatoxymelatonin?
Yes, KEHONG BIO provides custom synthesis services for 6-Sulfatoxymelatonin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.