indigo trisulfonate
TL;DR: indigo trisulfonate (CAS 138574-86-4) is a chemical compound with molecular formula C16H10N2O11S3 and molecular weight 501.94467 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-hydroxy-2-(3-oxo-5-sulfoindol-2-yl)-1H-indole-5,7-disulfonic acid
Also Known As: indigo trisulfonate, Indigo trisulfonic acid, Indigo-5,5',7'-trisulfonic acid, Indigo-5,5 ,7-trisulfonic acid, 1H-Indole-5,7-disulfonic acid, 2-(1,3-dihydro-3-oxo-5-sulfo-2H-indol-2-ylidene)-2,3-dihydro-3-oxo-
Technical Specifications
| Molecular Formula | C16H10N2O11S3 |
| Molecular Weight | 501.94467 g/mol |
| XLogP | -1.0 |
| Topological Polar Surface Area (TPSA) | 254.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 4 |
| Exact Mass | 501.94467 Da |
| Heavy Atoms | 32 |
| Complexity | 1150.0 |
| SMILES | C1=CC2=C(C=C1S(=O)(=O)O)C(=O)C(=N2)C3=C(C4=C(N3)C(=CC(=C4)S(=O)(=O)O)S(=O)(=O)O)O |
| InChIKey | NFYQSNJGHMJTRQ-UHFFFAOYSA-N |
Chemical Property Profile of indigo trisulfonate
Property Insights of indigo trisulfonate
The XLogP value of -1.0 indicates that indigo trisulfonate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 254.0 Ų indicates high polarity, suggesting indigo trisulfonate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, indigo trisulfonate has 5 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of indigo trisulfonate?
The CAS number of indigo trisulfonate is 138574-86-4.
What is the molecular formula of indigo trisulfonate?
The molecular formula of indigo trisulfonate is C16H10N2O11S3.
What is the molecular weight of indigo trisulfonate?
The molecular weight of indigo trisulfonate is 501.94467 g/mol.
Where can I buy indigo trisulfonate?
You can request a quote for indigo trisulfonate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for indigo trisulfonate?
Yes, CoreyChem provides custom synthesis services for indigo trisulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.