1,5-Bis(2-carboxyanilino)anthraquinone
TL;DR: 1,5-Bis(2-carboxyanilino)anthraquinone (CAS 81-78-7) is a chemical compound with molecular formula C28H18N2O6 and molecular weight 478.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[5-(2-carboxyanilino)-9,10-dioxoanthracen-1-yl]amino]benzoic acid
Also Known As: Vulcan Violet BN, Acridylic Acid, Violet BN Acid Anthraquinone, 1,5-Bis(2-carboxyanilino)anthraquinone, 2,2'-[ diimino]bisbenzoicacid
| Molecular Formula | C28H18N2O6 |
|---|---|
| Molecular Weight | 478.12 g/mol |
| LogP | 6.1 |
| Topological Polar Surface Area | 133.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 478.1165 |
| Heavy Atoms | 36 |
| Complexity | 806.0 |
Chemical Identifiers
| CAS Number | 81-78-7 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C(=O)O)NC2=CC=CC3=C2C(=O)C4=C(C3=O)C(=CC=C4)NC5=CC=CC=C5C(=O)O |
| InChIKey | VBKQODJWSGDGNQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 11 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,5-Bis(2-carboxyanilino)anthraquinone (CAS 81-78-7), with molecular formula C28H18N2O6 and molecular weight 478.12 g/mol. IUPAC: 2-[[5-(2-carboxyanilino)-9,10-dioxoanthracen-1-yl]amino]benzoic acid.
Chemical Property Profile of 1,5-Bis(2-carboxyanilino)anthraquinone
Property Insights of 1,5-Bis(2-carboxyanilino)anthraquinone
The XLogP value of 6.1 indicates that 1,5-Bis(2-carboxyanilino)anthraquinone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 133.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,5-Bis(2-carboxyanilino)anthraquinone. Following Lipinski's Rule of Five, 1,5-Bis(2-carboxyanilino)anthraquinone has 4 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1,5-Bis(2-carboxyanilino)anthraquinone?
The CAS number of 1,5-Bis(2-carboxyanilino)anthraquinone is 81-78-7.
What is the molecular formula of 1,5-Bis(2-carboxyanilino)anthraquinone?
The molecular formula of 1,5-Bis(2-carboxyanilino)anthraquinone is C28H18N2O6.
What is the molecular weight of 1,5-Bis(2-carboxyanilino)anthraquinone?
The molecular weight of 1,5-Bis(2-carboxyanilino)anthraquinone is 478.12 g/mol.
Where can I buy 1,5-Bis(2-carboxyanilino)anthraquinone?
You can request a quote for 1,5-Bis(2-carboxyanilino)anthraquinone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,5-Bis(2-carboxyanilino)anthraquinone?
Yes, KEHONG BIO provides custom synthesis services for 1,5-Bis(2-carboxyanilino)anthraquinone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.