2-(1,3-Dioxo-2,3-dihydro-1H-inden-2-yl)quinoline-6,8-disulfonic acid
TL;DR: 2-(1,3-Dioxo-2,3-dihydro-1H-inden-2-yl)quinoline-6,8-disulfonic acid (CAS 94803-32-4) is a chemical compound with molecular formula C18H11NO8S2 and molecular weight 432.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1,3-dioxoinden-2-yl)quinoline-6,8-disulfonic acid
Also Known As: Chinogelb, Chinogelb Extra, Quinoline Yellow, Quinoline yellow WS, Acid yellow 3
| Molecular Formula | C18H11NO8S2 |
|---|---|
| Molecular Weight | 432.99 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 173.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 3 |
| Exact Mass | 432.9926 |
| Heavy Atoms | 29 |
| Complexity | 879.0 |
Chemical Identifiers
| CAS Number | 94803-32-4 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=O)C(C2=O)C3=NC4=C(C=C(C=C4C=C3)S(=O)(=O)O)S(=O)(=O)O |
| InChIKey | OESPFRYVCUTRKF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-(1,3-Dioxo-2,3-dihydro-1H-inden-2-yl)quinoline-6,8-disulfonic acid (CAS 94803-32-4), with molecular formula C18H11NO8S2 and molecular weight 432.99 g/mol. IUPAC: 2-(1,3-dioxoinden-2-yl)quinoline-6,8-disulfonic acid.
Chemical Property Profile of 2-(1,3-Dioxo-2,3-dihydro-1H-inden-2-yl)quinoline-6,8-disulfonic acid
Property Insights of 2-(1,3-Dioxo-2,3-dihydro-1H-inden-2-yl)quinoline-6,8-disulfonic acid
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(1,3-Dioxo-2,3-dihydro-1H-inden-2-yl)quinoline-6,8-disulfonic acid. The TPSA of 173.0 Ų indicates high polarity, suggesting 2-(1,3-Dioxo-2,3-dihydro-1H-inden-2-yl)quinoline-6,8-disulfonic acid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2-(1,3-Dioxo-2,3-dihydro-1H-inden-2-yl)quinoline-6,8-disulfonic acid has 2 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 2-(1,3-Dioxo-2,3-dihydro-1H-inden-2-yl)quinoline-6,8-disulfonic acid?
The CAS number of 2-(1,3-Dioxo-2,3-dihydro-1H-inden-2-yl)quinoline-6,8-disulfonic acid is 94803-32-4.
What is the molecular formula of 2-(1,3-Dioxo-2,3-dihydro-1H-inden-2-yl)quinoline-6,8-disulfonic acid?
The molecular formula of 2-(1,3-Dioxo-2,3-dihydro-1H-inden-2-yl)quinoline-6,8-disulfonic acid is C18H11NO8S2.
What is the molecular weight of 2-(1,3-Dioxo-2,3-dihydro-1H-inden-2-yl)quinoline-6,8-disulfonic acid?
The molecular weight of 2-(1,3-Dioxo-2,3-dihydro-1H-inden-2-yl)quinoline-6,8-disulfonic acid is 432.99 g/mol.
Where can I buy 2-(1,3-Dioxo-2,3-dihydro-1H-inden-2-yl)quinoline-6,8-disulfonic acid?
You can request a quote for 2-(1,3-Dioxo-2,3-dihydro-1H-inden-2-yl)quinoline-6,8-disulfonic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(1,3-Dioxo-2,3-dihydro-1H-inden-2-yl)quinoline-6,8-disulfonic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-(1,3-Dioxo-2,3-dihydro-1H-inden-2-yl)quinoline-6,8-disulfonic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.