Indigotin disulfonate sodium
TL;DR: Indigotin disulfonate sodium (CAS 860-22-0) is a chemical compound with molecular formula C16H10N2Na2O8S2+2 and molecular weight 467.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
disodium;2-(3-hydroxy-5-sulfo-1H-indol-2-yl)-3-oxoindole-5-sulfonic acid
Also Known As: Acid Blue 74, Indigotin disulfonate sodium, C.I. Food Blue 1, disodium salt, disodium (2E)-3-oxo-2-(3-oxo-5-sulfo-1H-indol-2-ylidene)-1H-indole-5-sulfonic acid, disodium (2E)-3-oxo-2-(3-oxo-5-sulfo-indolin-2-ylidene)indoline-5-sulfonic acid
| Molecular Formula | C16H10N2Na2O8S2+2 |
|---|---|
| Molecular Weight | 467.97 g/mol |
| LogP | -4.31 |
| Topological Polar Surface Area | 191.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 3 |
| Exact Mass | 467.9674 |
| Heavy Atoms | 30 |
| Complexity | 904.0 |
Chemical Identifiers
| CAS Number | 860-22-0 |
|---|---|
| SMILES | C1=CC2=C(C=C1S(=O)(=O)O)C(=C(N2)C3=NC4=C(C3=O)C=C(C=C4)S(=O)(=O)O)O.[Na+].[Na+] |
| InChIKey | JFVXEJADITYJHK-UHFFFAOYSA-N |
Product Overview
Indigotin disulfonate sodium (CAS 860-22-0), with molecular formula C16H10N2Na2O8S2+2 and molecular weight 467.97 g/mol. IUPAC: disodium;2-(3-hydroxy-5-sulfo-1H-indol-2-yl)-3-oxoindole-5-sulfonic acid.
Chemical Property Profile of Indigotin disulfonate sodium
Property Insights of Indigotin disulfonate sodium
The XLogP value of -4.31 indicates that Indigotin disulfonate sodium is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 191.0 Ų indicates high polarity, suggesting Indigotin disulfonate sodium may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Indigotin disulfonate sodium has 4 hydrogen bond donor(s) and 9 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 Indigotin disulfonate sodium?
The CAS number of Indigotin disulfonate sodium is 860-22-0.
What is the molecular formula of Indigotin disulfonate sodium?
The molecular formula of Indigotin disulfonate sodium is C16H10N2Na2O8S2+2.
What is the molecular weight of Indigotin disulfonate sodium?
The molecular weight of Indigotin disulfonate sodium is 467.97 g/mol.
Where can I buy Indigotin disulfonate sodium?
You can request a quote for Indigotin disulfonate sodium directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Indigotin disulfonate sodium?
Yes, KEHONG BIO provides custom synthesis services for Indigotin disulfonate sodium and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.