Asulacrine isethionate
TL;DR: Asulacrine isethionate (CAS 80841-48-1) is a chemical compound with molecular formula C26H30N4O8S2 and molecular weight 590.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-hydroxyethanesulfonic acid;9-[4-(methanesulfonamido)-2-methoxyanilino]-N,5-dimethylacridine-4-carboxamide
Also Known As: Amsalog, Asulacrine isethionate, 80841-48-1 (isethionate), NCI60_003048, 2-hydroxyethanesulfonic acid;9-[4-(methanesulfonamido)-2-methoxyanilino]-N,5-dimethylacridine-4-carboxamide
| Molecular Formula | C26H30N4O8S2 |
|---|---|
| Molecular Weight | 590.15 g/mol |
| LogP | 3.04622 |
| Topological Polar Surface Area | 201.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 8 |
| Exact Mass | 590.1505 |
| Heavy Atoms | 40 |
| Complexity | 905.0 |
Chemical Identifiers
| CAS Number | 80841-48-1 |
|---|---|
| SMILES | CC1=C2C(=CC=C1)C(=C3C=CC=C(C3=N2)C(=O)NC)NC4=C(C=C(C=C4)NS(=O)(=O)C)OC.C(CS(=O)(=O)O)O |
| InChIKey | MWXDBWAFWBSGFA-UHFFFAOYSA-N |
Product Overview
Asulacrine isethionate (CAS 80841-48-1), with molecular formula C26H30N4O8S2 and molecular weight 590.15 g/mol. IUPAC: 2-hydroxyethanesulfonic acid;9-[4-(methanesulfonamido)-2-methoxyanilino]-N,5-dimethylacridine-4-carboxamide.
Chemical Property Profile of Asulacrine isethionate
Property Insights of Asulacrine isethionate
The XLogP value of 3.04622 indicates that Asulacrine isethionate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 201.0 Ų indicates high polarity, suggesting Asulacrine isethionate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Asulacrine isethionate has 5 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Asulacrine isethionate?
The CAS number of Asulacrine isethionate is 80841-48-1.
What is the molecular formula of Asulacrine isethionate?
The molecular formula of Asulacrine isethionate is C26H30N4O8S2.
What is the molecular weight of Asulacrine isethionate?
The molecular weight of Asulacrine isethionate is 590.15 g/mol.
Where can I buy Asulacrine isethionate?
You can request a quote for Asulacrine isethionate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Asulacrine isethionate?
Yes, KEHONG BIO provides custom synthesis services for Asulacrine isethionate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.