Amsacrine Isothionate
TL;DR: Amsacrine Isothionate (CAS 80277-14-1) is a chemical compound with molecular formula C23H25N3O7S2 and molecular weight 519.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[4-(acridin-9-ylamino)-3-methoxyphenyl]methanesulfonamide;2-hydroxyethanesulfonic acid
Also Known As: Amsacrine Isothionate, Tilivalline, Isothionate salt of amsacrine, Methanesulfonamide, N-(4-(9-acridinylamino)-3-methoxyphenyl)-, mono(2-hydroxyethanesulfonate), 4'-(9-Acridinylamino)methanesulfon-m-anisidide compd. with 2-hydroxyethanesulfonic acid
| Molecular Formula | C23H25N3O7S2 |
|---|---|
| Molecular Weight | 519.11 g/mol |
| LogP | 3.3782 |
| Topological Polar Surface Area | 172.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 7 |
| Exact Mass | 519.1134 |
| Heavy Atoms | 35 |
| Complexity | 718.0 |
Chemical Identifiers
| CAS Number | 80277-14-1 |
|---|---|
| SMILES | COC1=C(C=CC(=C1)NS(=O)(=O)C)NC2=C3C=CC=CC3=NC4=CC=CC=C42.C(CS(=O)(=O)O)O |
| InChIKey | MZLUSXXMFJMTRB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Amsacrine Isothionate (CAS 80277-14-1), with molecular formula C23H25N3O7S2 and molecular weight 519.11 g/mol. IUPAC: N-[4-(acridin-9-ylamino)-3-methoxyphenyl]methanesulfonamide;2-hydroxyethanesulfonic acid.
Chemical Property Profile of Amsacrine Isothionate
Property Insights of Amsacrine Isothionate
The XLogP value of 3.3782 indicates that Amsacrine Isothionate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 172.0 Ų indicates high polarity, suggesting Amsacrine Isothionate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Amsacrine Isothionate 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 Amsacrine Isothionate?
The CAS number of Amsacrine Isothionate is 80277-14-1.
What is the molecular formula of Amsacrine Isothionate?
The molecular formula of Amsacrine Isothionate is C23H25N3O7S2.
What is the molecular weight of Amsacrine Isothionate?
The molecular weight of Amsacrine Isothionate is 519.11 g/mol.
Where can I buy Amsacrine Isothionate?
You can request a quote for Amsacrine Isothionate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Amsacrine Isothionate?
Yes, KEHONG BIO provides custom synthesis services for Amsacrine Isothionate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.