Indoxyl Sulfate
TL;DR: Indoxyl Sulfate (CAS 487-94-5) is a chemical compound with molecular formula C8H7NO4S and molecular weight 213.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1H-indol-3-yl hydrogen sulfate
Also Known As: Indoxyl sulfate, 3-Indoxyl sulfate, Indoxylsulfuric acid, INDICAN, indoxyl sulphate
| Molecular Formula | C8H7NO4S |
|---|---|
| Molecular Weight | 213.01 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 87.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 213.00958 |
| Heavy Atoms | 14 |
| Complexity | 297.0 |
Chemical Identifiers
| CAS Number | 487-94-5 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=CN2)OS(=O)(=O)O |
| InChIKey | BXFFHSIDQOFMLE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 20 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Indoxyl Sulfate (CAS 487-94-5), with molecular formula C8H7NO4S and molecular weight 213.01 g/mol. IUPAC: 1H-indol-3-yl hydrogen sulfate.
Chemical Property Profile of Indoxyl Sulfate
Property Insights of Indoxyl Sulfate
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Indoxyl Sulfate. The TPSA of 87.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Indoxyl Sulfate. Following Lipinski's Rule of Five, Indoxyl 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 Indoxyl Sulfate?
The CAS number of Indoxyl Sulfate is 487-94-5.
What is the molecular formula of Indoxyl Sulfate?
The molecular formula of Indoxyl Sulfate is C8H7NO4S.
What is the molecular weight of Indoxyl Sulfate?
The molecular weight of Indoxyl Sulfate is 213.01 g/mol.
Where can I buy Indoxyl Sulfate?
You can request a quote for Indoxyl Sulfate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Indoxyl Sulfate?
Yes, KEHONG BIO provides custom synthesis services for Indoxyl Sulfate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.