1H-Indole-5,6-diol, 6-(hydrogen sulfate)
TL;DR: 1H-Indole-5,6-diol, 6-(hydrogen sulfate) (CAS 3749-11-9) is a chemical compound with molecular formula C8H7NO5S and molecular weight 229.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5-hydroxy-1H-indol-6-yl) hydrogen sulfate
Also Known As: 5,6-Dhis, 5-hydroxy-1h-indol-6-yl hydrogen sulfate, 5-Hydroxy-6-indolyl-O-sulfate, (5-hydroxy-1H-indol-6-yl) hydrogen sulfate, 1H-Indole-5,6-diol, 6-(hydrogen sulfate)
| Molecular Formula | C8H7NO5S |
|---|---|
| Molecular Weight | 229.00 g/mol |
| LogP | 0.7 |
| Topological Polar Surface Area | 108.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 229.00449 |
| Heavy Atoms | 15 |
| Complexity | 324.0 |
Chemical Identifiers
| CAS Number | 3749-11-9 |
|---|---|
| SMILES | C1=CNC2=CC(=C(C=C21)O)OS(=O)(=O)O |
| InChIKey | WADBTJLNKJQTOX-UHFFFAOYSA-N |
Product Overview
1H-Indole-5,6-diol, 6-(hydrogen sulfate) (CAS 3749-11-9), with molecular formula C8H7NO5S and molecular weight 229.00 g/mol. IUPAC: (5-hydroxy-1H-indol-6-yl) hydrogen sulfate.
Chemical Property Profile of 1H-Indole-5,6-diol, 6-(hydrogen sulfate)
Property Insights of 1H-Indole-5,6-diol, 6-(hydrogen sulfate)
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1H-Indole-5,6-diol, 6-(hydrogen sulfate). The TPSA of 108.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1H-Indole-5,6-diol, 6-(hydrogen sulfate). Following Lipinski's Rule of Five, 1H-Indole-5,6-diol, 6-(hydrogen sulfate) has 3 hydrogen bond donor(s) and 5 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 1H-Indole-5,6-diol, 6-(hydrogen sulfate)?
The CAS number of 1H-Indole-5,6-diol, 6-(hydrogen sulfate) is 3749-11-9.
What is the molecular formula of 1H-Indole-5,6-diol, 6-(hydrogen sulfate)?
The molecular formula of 1H-Indole-5,6-diol, 6-(hydrogen sulfate) is C8H7NO5S.
What is the molecular weight of 1H-Indole-5,6-diol, 6-(hydrogen sulfate)?
The molecular weight of 1H-Indole-5,6-diol, 6-(hydrogen sulfate) is 229.00 g/mol.
Where can I buy 1H-Indole-5,6-diol, 6-(hydrogen sulfate)?
You can request a quote for 1H-Indole-5,6-diol, 6-(hydrogen sulfate) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1H-Indole-5,6-diol, 6-(hydrogen sulfate)?
Yes, KEHONG BIO provides custom synthesis services for 1H-Indole-5,6-diol, 6-(hydrogen sulfate) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.