Acid Blue 62 free acid
TL;DR: Acid Blue 62 free acid (CAS 5617-28-7) is a chemical compound with molecular formula C20H20N2O5S and molecular weight 400.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-amino-4-(cyclohexylamino)-9,10-dioxoanthracene-2-sulfonic acid
Also Known As: Acid Blue 62 free acid, Acid Blue 62, TELON FAST BLUE R, Acid Blue 62, tech., C.I. Acid Blue 62 parent
| Molecular Formula | C20H20N2O5S |
|---|---|
| Molecular Weight | 400.11 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 135.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 400.10928 |
| Heavy Atoms | 28 |
| Complexity | 727.0 |
Chemical Identifiers
| CAS Number | 5617-28-7 |
|---|---|
| SMILES | C1CCC(CC1)NC2=CC(=C(C3=C2C(=O)C4=CC=CC=C4C3=O)N)S(=O)(=O)O |
| InChIKey | GMBNNHLANOGOAU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Acid Blue 62 free acid (CAS 5617-28-7), with molecular formula C20H20N2O5S and molecular weight 400.11 g/mol. IUPAC: 1-amino-4-(cyclohexylamino)-9,10-dioxoanthracene-2-sulfonic acid.
Chemical Property Profile of Acid Blue 62 free acid
Property Insights of Acid Blue 62 free acid
The XLogP value of 3.3 indicates that Acid Blue 62 free acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 135.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Acid Blue 62 free acid. Following Lipinski's Rule of Five, Acid Blue 62 free acid has 3 hydrogen bond donor(s) and 7 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 Acid Blue 62 free acid?
The CAS number of Acid Blue 62 free acid is 5617-28-7.
What is the molecular formula of Acid Blue 62 free acid?
The molecular formula of Acid Blue 62 free acid is C20H20N2O5S.
What is the molecular weight of Acid Blue 62 free acid?
The molecular weight of Acid Blue 62 free acid is 400.11 g/mol.
Where can I buy Acid Blue 62 free acid?
You can request a quote for Acid Blue 62 free acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Acid Blue 62 free acid?
Yes, KEHONG BIO provides custom synthesis services for Acid Blue 62 free acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.