Anthraquinone Violet
TL;DR: Anthraquinone Violet (CAS 117-04-4) is a chemical compound with molecular formula C28H22N2O8S2 and molecular weight 578.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-methyl-2-[[5-(4-methyl-2-sulfoanilino)-9,10-dioxoanthracen-1-yl]amino]benzenesulfonic acid
Also Known As: Anthraquinone Violet, Alizarin violet 3R, C.I. Acid Violet 34, NCI60_002488, C.I. 61710
| Molecular Formula | C28H22N2O8S2 |
|---|---|
| Molecular Weight | 578.08 g/mol |
| LogP | 5.3 |
| Topological Polar Surface Area | 184.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 6 |
| Exact Mass | 578.0818 |
| Heavy Atoms | 40 |
| Complexity | 1090.0 |
Chemical Identifiers
| CAS Number | 117-04-4 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)NC2=CC=CC3=C2C(=O)C4=C(C3=O)C(=CC=C4)NC5=C(C=C(C=C5)C)S(=O)(=O)O)S(=O)(=O)O |
| InChIKey | YFOWXMVHAZEPQT-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Anthraquinone Violet (CAS 117-04-4), with molecular formula C28H22N2O8S2 and molecular weight 578.08 g/mol. IUPAC: 5-methyl-2-[[5-(4-methyl-2-sulfoanilino)-9,10-dioxoanthracen-1-yl]amino]benzenesulfonic acid.
Chemical Property Profile of Anthraquinone Violet
Property Insights of Anthraquinone Violet
The XLogP value of 5.3 indicates that Anthraquinone Violet is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 184.0 Ų indicates high polarity, suggesting Anthraquinone Violet may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Anthraquinone Violet has 4 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Anthraquinone Violet?
The CAS number of Anthraquinone Violet is 117-04-4.
What is the molecular formula of Anthraquinone Violet?
The molecular formula of Anthraquinone Violet is C28H22N2O8S2.
What is the molecular weight of Anthraquinone Violet?
The molecular weight of Anthraquinone Violet is 578.08 g/mol.
Where can I buy Anthraquinone Violet?
You can request a quote for Anthraquinone Violet directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Anthraquinone Violet?
Yes, KEHONG BIO provides custom synthesis services for Anthraquinone Violet and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.