Isometamidium
TL;DR: Isometamidium (CAS 20438-03-3) is a chemical compound with molecular formula C28H26N7+ and molecular weight 460.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[2-(3-amino-5-ethyl-6-phenylphenanthridin-5-ium-8-yl)iminohydrazinyl]benzenecarboximidamide
Also Known As: Isometamidium, Samorin, Trypamidium, Isometamidium ion, Isometamidium chloride
| Molecular Formula | C28H26N7+ |
|---|---|
| Molecular Weight | 460.22 g/mol |
| LogP | 5.9 |
| Topological Polar Surface Area | 117.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 460.22498 |
| Heavy Atoms | 35 |
| Complexity | 735.0 |
Chemical Identifiers
| CAS Number | 20438-03-3 |
|---|---|
| SMILES | CC[N+]1=C2C=C(C=CC2=C3C=CC(=CC3=C1C4=CC=CC=C4)N=NNC5=CC=CC(=C5)C(=N)N)N |
| InChIKey | UGKOYGZYLRKTJH-UHFFFAOYSA-O |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Isometamidium (CAS 20438-03-3), with molecular formula C28H26N7+ and molecular weight 460.22 g/mol. IUPAC: 3-[2-(3-amino-5-ethyl-6-phenylphenanthridin-5-ium-8-yl)iminohydrazinyl]benzenecarboximidamide.
Chemical Property Profile of Isometamidium
Property Insights of Isometamidium
The XLogP value of 5.9 indicates that Isometamidium is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 117.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Isometamidium. Following Lipinski's Rule of Five, Isometamidium has 4 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Isometamidium?
The CAS number of Isometamidium is 20438-03-3.
What is the molecular formula of Isometamidium?
The molecular formula of Isometamidium is C28H26N7+.
What is the molecular weight of Isometamidium?
The molecular weight of Isometamidium is 460.22 g/mol.
Where can I buy Isometamidium?
You can request a quote for Isometamidium directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isometamidium?
Yes, KEHONG BIO provides custom synthesis services for Isometamidium and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.